data_2ftu_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 2ftu _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 ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.408 0.147 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.411 ' C ' ' H ' ' A' ' 74' ' ' ASP . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 72' ' ' VAL . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 . . . . . 0 C--O 1.219 -0.517 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 33' ' ' LYS . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.336 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.416 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 18.1 t-80 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.405 HG23 ' CD2' ' A' ' 52' ' ' HIS . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.473 ' H ' HD11 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.72 -0.104 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HG ' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG21 ' H ' ' A' ' 74' ' ' ASP . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.427 ' H ' HG21 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' A' ' 43' ' ' LYS . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.502 ' HA ' ' CE1' ' A' ' 102' ' ' HIS . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.479 ' H ' ' CD1' ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.502 ' CD2' HD12 ' A' ' 106' ' ' LEU . 4.2 t-160 -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.476 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.475 ' HG1' ' HB3' ' A' ' 34' ' ' GLU . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' HG1' ' A' ' 31' ' ' THR . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 ' H ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.402 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.402 ' CE3' HG13 ' A' ' 19' ' ' ILE . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' H ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.489 ' HG1' ' HG2' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.489 ' HG2' ' HG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.478 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.14 139.53 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 121.861 -0.524 . . . . 0.0 109.906 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -152.57 155.39 37.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.87 146.22 50.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -57.08 4.09 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 162.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.55 60.34 2.11 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.09 -144.37 0.19 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 168.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 m -142.16 60.52 1.46 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.669 1.588 . . . . 0.0 108.77 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -165.05 -19.42 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.166 -161.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -73.47 -166.24 0.33 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 127.155 2.182 . . . . 0.0 108.378 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 13' ' ' PHE . . . -126.17 124.78 41.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 158.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 16.59 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 132.814 4.446 . . . . 0.0 116.139 -171.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' H ' ' C ' ' A' ' 11' ' ' ALA . 50.4 m-85 -112.94 62.03 0.64 Allowed 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 127.596 2.358 . . . . 0.0 108.045 175.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.89 -72.79 0.68 Allowed 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.98 65.23 5.58 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 17' ' ' ARG . 58.7 Cg_endo -79.6 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.768 2.312 . . . . 0.0 111.268 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -139.22 5.76 2.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.499 1.919 . . . . 0.0 111.088 169.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.451 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.7 85.53 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -73.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.688 -161.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.2 p80 163.51 -40.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.028 2.531 . . . . 0.0 111.512 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -107.18 57.35 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.831 1.196 . . . . 0.0 108.592 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.297 8.8 tm-20 56.37 178.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -157.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 120.314 -1.491 . . . . 0.0 109.65 -157.244 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -139.2 -78.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -159.06 179.4 9.08 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.918 1.687 . . . . 0.0 108.243 -164.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -122.67 -75.28 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -71.6 164.01 26.68 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.24 53.2 48.27 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.333 0.968 . . . . 0.0 115.143 164.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.68 178.86 4.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.999 0.899 . . . . 0.0 109.231 157.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -71.6 167.1 20.48 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-N 118.553 0.615 . . . . 0.0 110.667 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -67.82 -14.46 62.97 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.29 1.436 . . . . 0.0 112.339 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.24 61.28 0.18 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.568 -1.332 . . . . 0.0 111.298 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.51 87.19 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.225 1.012 . . . . 0.0 111.848 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.86 -0.42 30.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.076 1.35 . . . . 0.0 112.141 163.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.55 59.37 2.96 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 126.585 1.954 . . . . 0.0 110.799 -170.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -164.56 29.27 0.07 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.85 -162.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.03 146.51 35.83 Favored Pre-proline 0 C--O 1.24 0.555 0 O-C-N 120.617 -1.302 . . . . 0.0 114.485 -159.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.98 77.18 2.79 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.761 2.974 . . . . 0.0 108.055 170.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -153.64 -76.57 0.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 166.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.411 ' C ' ' H ' ' A' ' 74' ' ' ASP . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 72' ' ' VAL . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 29.2 68.67 0.08 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -74.62 165.25 25.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.442 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -80.63 71.32 7.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 165.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.24 10.91 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.218 1.007 . . . . 0.0 112.729 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.32 23.7 tt0 60.89 30.45 19.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 123.258 1.504 . . . . 0.0 112.479 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.244 0.768 0 C-N-CA 128.82 2.848 . . . . 0.0 111.798 144.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -159.85 -84.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -150.6 148.13 28.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 160.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -106.77 0.87 24.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.452 1.101 . . . . 0.0 111.08 172.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -50.36 9.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.403 0.681 . . . . 0.0 111.14 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.58 26.85 73.61 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.912 -0.938 . . . . 0.0 112.137 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.69 107.13 1.49 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.856 1.328 . . . . 0.0 109.117 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -153.68 -179.3 7.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.738 0.78 . . . . 0.0 109.595 155.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -73.71 11.56 0.82 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.63 2.772 . . . . 0.0 112.103 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.97 34.09 2.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.558 0.743 . . . . 0.0 112.746 -169.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 91.8 165.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 1 C-N-CA 131.844 4.058 . . . . 0.0 109.153 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -123.4 15.63 9.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.721 1.608 . . . . 0.0 109.238 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.08 65.21 0.82 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.822 1.649 . . . . 0.0 108.097 -165.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.36 -95.84 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 170.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -126.82 79.24 72.51 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 165.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -73.62 -73.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.661 2.241 . . . . 0.0 111.928 -172.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -149.53 -39.81 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.33 1.452 . . . . 0.0 111.453 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.96 74.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -64.99 167.02 8.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.526 0.731 . . . . 0.0 109.63 173.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -94.7 -10.34 32.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.075 0.464 . . . . 0.0 111.251 172.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.56 173.4 12.0 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 151.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -58.82 155.13 13.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.482 0.658 . . . . 0.0 109.802 155.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 115.072 -2.394 . . . . 0.0 115.017 -147.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.39 40.86 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 121.1 1.773 . . . . 0.0 113.293 -160.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.84 71.97 1.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -151.17 72.39 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 45.71 -93.06 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 128.543 2.737 . . . . 0.0 111.337 -171.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.6 40.3 97.46 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.951 -0.916 . . . . 0.0 114.143 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 53.65 69.09 0.75 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.806 1.643 . . . . 0.0 111.097 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.35 101.17 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.461 1.504 . . . . 0.0 110.945 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -58.92 -29.41 67.06 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.039 169.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 73.65 33.76 1.01 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.171 2.589 . . . . 0.0 108.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.74 -164.28 1.45 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.598 1.559 . . . . 0.0 108.689 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.7 1.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.292 2.237 . . . . 0.0 115.244 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 44.25 40.41 3.62 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.048 2.139 . . . . 0.0 112.338 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.39 -61.75 2.37 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.388 1.075 . . . . 0.0 112.098 -167.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.54 59.21 3.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.689 0.796 . . . . 0.0 111.564 164.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.27 173.32 13.92 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 N-CA-C 109.168 -1.128 . . . . 0.0 109.168 161.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -55.85 -8.87 0.47 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 56.44 -38.12 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.95 -163.7 0.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.291 1.837 . . . . 0.0 110.139 168.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -140.47 32.11 1.88 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.223 1.409 . . . . 0.0 108.098 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.75 170.27 22.0 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.816 2.046 . . . . 0.0 106.612 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.95 157.56 34.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.925 0.784 . . . . 0.0 110.892 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.161 -166.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -48.23 156.14 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.538 1.535 . . . . 0.0 110.513 165.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -136.9 134.63 37.03 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -163.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 157.76 43.52 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.792 1.637 . . . . 0.0 107.33 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -29.51 65.21 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.31 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.32 91.87 0.08 OUTLIER Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 43.44 36.51 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.406 2.282 . . . . 0.0 114.986 167.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 m 57.28 157.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.898 2.079 . . . . 0.0 114.181 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -65.86 -45.83 80.67 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 120.399 -1.438 . . . . 0.0 108.038 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 132.94 0.65 Allowed 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 127.703 2.401 . . . . 0.0 105.448 -174.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.51 158.94 30.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.517 1.127 . . . . 0.0 109.41 171.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.89 8.34 44.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.649 0.78 . . . . 0.0 110.452 153.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 155.89 48.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 O-C-N 120.65 -1.281 . . . . 0.0 110.531 -167.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 35.66 46.79 0.33 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.322 2.649 . . . . 0.0 112.754 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -163.08 -64.22 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.679 1.592 . . . . 0.0 107.898 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.28 169.86 14.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.044 1.829 . . . . 0.0 111.545 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.63 1.36 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 128.875 2.87 . . . . 0.0 116.504 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.458 ' C ' ' H ' ' A' ' 33' ' ' LYS . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.52 77.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -63.18 -74.28 0.1 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.954 -174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 m170 153.45 173.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.482 1 C-N-CA 133.196 4.598 . . . . 0.0 105.884 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 t30 55.3 41.36 31.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.093 1.757 . . . . 0.0 112.428 168.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 57.46 168.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 C-N-CA 128.02 2.528 . . . . 0.0 112.183 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.248 0.975 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 -163.464 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -59.23 176.14 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 120.044 1.293 . . . . 0.0 110.17 155.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.77 -145.13 0.18 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 120.879 -1.138 . . . . 0.0 108.624 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -152.22 143.67 23.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.975 1.71 . . . . 0.0 108.86 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.5 129.22 39.12 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.43 19.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.459 -1.189 . . . . 0.0 114.418 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -126.47 -56.95 1.39 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.964 1.382 . . . . 0.0 109.862 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -71.53 140.8 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.015 0.526 . . . . 0.0 109.923 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -70.06 13.18 0.17 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.128 1.771 . . . . 0.0 113.201 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.47 165.85 34.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.373 1.869 . . . . 0.0 108.008 -167.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.89 152.74 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.14 6.54 4.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.351 1.46 . . . . 0.0 107.687 172.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 64.41 -177.42 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 128.227 2.611 . . . . 0.0 110.023 -171.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.66 84.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.358 2.263 . . . . 0.0 113.14 -170.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 153.5 -44.83 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 130.265 3.426 . . . . 0.0 111.36 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 18' ' ' VAL . 20.6 Cg_endo -60.03 163.56 13.92 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 CA-C-N 121.327 1.51 . . . . 0.0 111.781 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.31 14.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.805 2.442 . . . . 0.0 114.035 -171.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' H ' ' C ' ' A' ' 16' ' ' PRO 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.49 -22.77 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.56 -134.44 1.0 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.402 -2.061 . . . . 0.0 107.85 162.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -160.71 23.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 120.038 1.29 . . . . 0.0 111.377 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -139.63 -71.31 0.39 Allowed 'General case' 0 C--O 1.225 -0.202 0 O-C-N 120.913 -1.117 . . . . 0.0 108.214 -167.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 154.09 156.68 0.01 OUTLIER 'General case' 0 C--O 1.246 0.92 1 C-N-CA 133.661 4.785 . . . . 0.0 102.723 -159.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 C--O 1.248 1.008 0 O-C-N 121.814 -0.553 . . . . 0.0 112.48 -141.63 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' A' ' 1' ' ' ARG . 21.3 m -72.22 124.88 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 126.347 1.859 . . . . 0.0 108.738 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -161.24 112.63 1.79 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.191 1.796 . . . . 0.0 106.949 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 112.72 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 157.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.68 94.29 1.34 Allowed 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.95 -177.66 40.95 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 108.408 -1.877 . . . . 0.0 108.408 -161.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -165.69 19.61 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.397 2.279 . . . . 0.0 111.619 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -92.52 124.91 36.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.368 -0.832 . . . . 0.0 110.145 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.293 0.7 OUTLIER 55.07 7.12 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 129.345 3.058 . . . . 0.0 114.081 -174.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -118.89 -171.1 2.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.139 2.176 . . . . 0.0 107.828 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.6 136.2 35.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.061 0.545 . . . . 0.0 109.679 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -78.58 35.72 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 112.468 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' CE1' ' HE3' ' A' ' 100' ' ' LYS . 94.0 m-85 -109.86 34.05 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.232 1.413 . . . . 0.0 107.537 168.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.9 76.96 1.53 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -134.47 164.01 47.09 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 126.135 1.774 . . . . 0.0 107.99 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.27 -48.16 21.17 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.833 2.356 . . . . 0.0 112.076 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -71.45 0.07 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 128.483 2.713 . . . . 0.0 114.521 -159.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.416 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 59.97 122.15 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -144.41 150.68 38.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 -161.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.12 174.52 0.65 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.433 0.458 . . . . 0.0 111.172 173.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.8 m120 49.24 37.31 10.96 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.833 1.253 . . . . 0.0 112.82 163.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.348 2.0 tt0 58.29 49.36 11.18 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.954 1.359 . . . . 0.0 112.471 172.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.281 8.6 mp . . . . . 0 C--O 1.249 1.063 0 C-N-CA 128.744 2.818 . . . . 0.0 112.289 159.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.444 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.444 ' CG2' ' HD2' ' A' ' 1' ' ' ARG . 11.3 m -50.39 139.27 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 119.087 0.858 . . . . 0.0 111.771 165.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -149.59 100.62 3.0 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -170.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 5' ' ' GLN . 6.3 p80 -164.47 -63.34 0.04 OUTLIER 'General case' 0 C--O 1.231 0.091 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 34.8 mt-30 44.25 70.29 0.34 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.01 1.724 . . . . 0.0 109.488 -163.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.87 146.16 18.05 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 105.409 -3.076 . . . . 0.0 105.409 147.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -146.63 154.24 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 167.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p 67.57 109.74 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.888 1.675 . . . . 0.0 110.698 -174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.252 2.6 t 57.35 7.22 0.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.168 1.787 . . . . 0.0 115.11 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -115.25 74.31 0.88 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 42.59 -156.21 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.845 2.058 . . . . 0.0 111.994 -164.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -151.39 5.6 0.47 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.445 2.698 . . . . 0.0 111.16 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -112.36 -159.06 0.67 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.49 6.85 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.474 0.31 . . . . 0.0 111.482 176.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 139.3 97.45 Favored Pre-proline 0 N--CA 1.444 -0.73 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -58.98 -29.86 91.75 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.331 1.354 . . . . 0.0 112.009 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -47.51 -53.54 14.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 128.007 2.523 . . . . 0.0 113.865 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 18.1 t-80 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 HG23 ' CD2' ' A' ' 52' ' ' HIS . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.404 HH11 ' C ' ' A' ' 118' ' ' LEU . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.28 60.16 2.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -73.47 163.74 27.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.816 1.246 . . . . 0.0 111.76 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -75.78 83.29 2.74 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 158.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 t30 175.15 170.42 0.29 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 130.297 3.439 . . . . 0.0 105.685 171.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.54 173.35 5.11 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.72 162.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.404 ' C ' HH11 ' A' ' 109' ' ' ARG . 47.4 mt . . . . . 0 C--O 1.245 0.843 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -157.95 177.77 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.534 2.334 . . . . 0.0 105.106 -165.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -170.49 0.89 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.617 1.553 . . . . 0.0 113.169 -171.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -133.67 77.96 1.75 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.483 2.313 . . . . 0.0 106.459 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -67.53 -176.81 0.65 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.299 1.047 . . . . 0.0 109.443 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.66 37.68 3.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 125.728 1.633 . . . . 0.0 110.599 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 63.61 -68.01 0.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.765 2.826 . . . . 0.0 111.559 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m 58.47 115.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 129.425 3.09 . . . . 0.0 113.383 -170.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 75.12 -60.54 0.51 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.809 1.244 . . . . 0.0 108.036 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 177.19 150.18 0.16 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 131.611 3.964 . . . . 0.0 105.52 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 118.97 14.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -136.17 5.78 3.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.526 1.531 . . . . 0.0 111.23 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -136.9 -40.86 0.6 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.838 0.855 . . . . 0.0 111.532 -155.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.94 115.78 16.97 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 155.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.307 7.4 mt-10 153.31 -54.4 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 130.526 3.531 . . . . 0.0 108.039 168.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.34 171.2 18.73 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 CA-C-O 123.19 1.246 . . . . 0.0 113.36 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.37 13.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 128.933 2.893 . . . . 0.0 116.17 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.473 ' H ' HD11 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.39 118.22 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -99.48 -56.76 2.31 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 119.967 -1.708 . . . . 0.0 112.178 -161.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 154.09 -34.85 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 1 C-N-CA 131.842 4.057 . . . . 0.0 108.998 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -139.82 161.83 36.62 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.75 1.62 . . . . 0.0 108.143 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.84 151.76 20.76 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.507 1.523 . . . . 0.0 113.076 -151.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.334 -157.065 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t 61.13 165.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 126.645 1.978 . . . . 0.0 109.57 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.3 -167.96 0.14 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.707 1.242 . . . . 0.0 111.834 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 -79.32 0.29 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 168.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -66.82 -27.73 67.8 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.468 1.107 . . . . 0.0 111.509 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.86 -160.32 50.28 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -167.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 59.46 82.42 0.15 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.342 1.457 . . . . 0.0 109.367 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.18 117.31 2.93 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.316 0.646 . . . . 0.0 109.298 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -78.27 -53.22 7.55 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -172.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -179.92 127.82 0.08 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.455 -3.535 . . . . 0.0 101.455 -170.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.56 -154.79 0.05 Allowed 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.942 0.897 . . . . 0.0 112.735 -162.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 50.27 35.9 11.56 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.997 2.119 . . . . 0.0 113.417 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -52.59 114.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.15 -1.386 . . . . 0.0 107.494 149.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -121.02 -88.94 0.62 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 168.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -131.72 68.98 81.27 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 119.817 1.19 . . . . 0.0 109.194 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.99 -54.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.054 2.503 . . . . 0.0 114.26 -174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.71 -34.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.477 1.511 . . . . 0.0 110.72 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HG ' ' CE2' ' A' ' 38' ' ' PHE . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 115' ' ' HIS . . . 42.28 -54.27 0.0 OUTLIER 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 52.12 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 129.179 2.991 . . . . 0.0 116.889 -170.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' ALA . 6.3 m170 55.37 -162.99 0.14 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 127.046 2.138 . . . . 0.0 112.104 -169.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 t30 83.9 -83.11 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 129.094 2.958 . . . . 0.0 106.458 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -167.08 -25.99 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.984 2.114 . . . . 0.0 110.146 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.284 1.4 pt? . . . . . 0 C--O 1.249 1.027 0 C-N-CA 126.387 1.875 . . . . 0.0 112.719 170.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.81 148.0 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 125.404 1.482 . . . . 0.0 107.762 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 24.33 90.71 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.862 2.865 . . . . 0.0 115.014 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.37 12.79 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.989 -1.07 . . . . 0.0 112.924 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -146.58 77.27 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.97 103.82 1.83 Allowed Glycine 0 C--N 1.335 0.502 0 N-CA-C 106.343 -2.703 . . . . 0.0 106.343 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -64.67 -24.49 67.59 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.98 -166.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m 46.88 88.92 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.135 1.774 . . . . 0.0 114.766 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -174.48 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.226 1.579 . . . . 0.0 111.696 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -147.91 33.58 0.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.555 1.525 . . . . 0.0 111.035 -167.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.43 112.85 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.009 1.324 . . . . 0.0 109.697 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -94.68 20.05 9.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.926 1.69 . . . . 0.0 110.658 166.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.63 170.61 8.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.793 -1.192 . . . . 0.0 110.449 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.351 2.5 pt-20 54.02 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 129.402 3.081 . . . . 0.0 112.198 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -152.72 158.88 33.05 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 120.802 -1.187 . . . . 0.0 111.353 -174.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.94 16.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 1 C-N-CA 127.307 5.338 . . . . 0.0 114.977 166.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -107.4 -81.44 0.56 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.561 1.144 . . . . 0.0 107.985 171.335 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.59 108.9 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.51 145.54 38.87 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -56.64 -31.82 64.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.17 -62.86 1.29 Allowed 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.443 -170.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 154.35 166.12 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.783 1 C-N-CA 133.025 4.53 . . . . 0.0 105.453 -170.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 115.941 -1.981 . . . . 0.0 112.958 -153.766 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 117.241 -1.362 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.29 25.0 t 67.17 120.45 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.885 1.674 . . . . 0.0 110.359 171.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.59 118.45 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.903 -1.123 . . . . 0.0 108.972 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m80 63.18 167.36 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.693 2.397 . . . . 0.0 112.365 -165.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.08 -72.79 0.39 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.19 -166.39 12.19 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -33.33 75.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.528 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -136.74 163.86 29.63 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.49 1.116 . . . . 0.0 109.841 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -91.36 -34.48 14.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.511 0.724 . . . . 0.0 109.19 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -154.24 116.15 4.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.69 17.44 16.48 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.354 0.525 . . . . 0.0 112.218 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 73.68 6.32 4.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.553 1.541 . . . . 0.0 110.868 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.16 -78.34 0.58 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 125.543 1.537 . . . . 0.0 110.328 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -93.44 59.25 2.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -161.91 -48.74 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 C-N-CA 125.29 1.436 . . . . 0.0 110.536 168.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -70.23 177.47 5.87 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 CA-C-N 121.052 1.411 . . . . 0.0 111.292 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -74.72 -11.38 60.16 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.143 -163.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 116' ' ' ASN . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG21 ' H ' ' A' ' 74' ' ' ASP . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' H ' HG21 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 46.16 72.58 0.22 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -77.67 178.67 7.13 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.773 0.32 . . . . 0.0 110.2 174.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -84.45 158.82 20.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.431 ' H ' HG22 ' A' ' 31' ' ' THR . 83.8 m-20 50.38 62.02 2.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.397 2.679 . . . . 0.0 112.378 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.266 0.9 OUTLIER 53.86 177.7 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.857 2.463 . . . . 0.0 111.159 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.253 1.254 0 O-C-N 119.018 -2.301 . . . . 0.0 114.18 -147.466 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -48.81 157.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.14 0.976 . . . . 0.0 111.464 168.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -61.5 -51.95 66.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 160.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 50.26 90.94 0.02 OUTLIER 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.284 1.434 . . . . 0.0 107.548 -158.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -131.09 -80.68 0.53 Allowed 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.81 174.82 42.96 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -166.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.73 -68.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 160.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 150.73 3.71 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 128.684 2.794 . . . . 0.0 107.958 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t 168.69 -60.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.14 2.976 . . . . 0.0 106.409 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.79 89.94 0.83 Allowed 'General case' 0 C--O 1.233 0.233 0 C-N-CA 128.983 2.913 . . . . 0.0 104.573 166.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.44 177.68 0.11 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.43 2.292 . . . . 0.0 114.648 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -132.47 28.07 4.36 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.759 2.424 . . . . 0.0 108.755 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -78.07 78.64 4.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 167.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 -52.56 4.02 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -164.36 57.98 0.6 Allowed Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 127.626 2.37 . . . . 0.0 107.292 167.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.34 -175.67 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 CA-C-N 120.888 1.353 . . . . 0.0 110.682 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -57.61 -12.94 3.19 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.026 1.731 . . . . 0.0 113.847 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' HZ1' ' A' ' 43' ' ' LYS . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.502 ' HA ' ' CE1' ' A' ' 102' ' ' HIS . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 65.51 39.35 5.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -140.74 171.8 13.59 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.926 170.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.3 t60 97.48 -100.46 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 134.616 5.166 . . . . 0.0 113.781 174.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 108.45 19.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -167.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 94.8 -65.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 130.98 3.712 . . . . 0.0 107.353 -161.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 C-N-CA 125.379 1.471 . . . . 0.0 110.941 -161.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.8 t -135.5 91.98 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -172.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t 57.54 168.31 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.913 2.085 . . . . 0.0 113.029 -161.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 154.43 94.27 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 1 C-N-CA 133.018 4.527 . . . . 0.0 104.703 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.56 -56.11 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.518 1.527 . . . . 0.0 109.437 169.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.54 95.78 0.39 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -142.45 174.05 10.98 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.956 0.903 . . . . 0.0 111.042 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t 61.39 173.79 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.352 1.861 . . . . 0.0 111.714 -174.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -75.72 -22.2 56.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.287 167.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -158.31 113.88 2.68 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 77.73 1.11 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.841 0.457 . . . . 0.0 111.825 167.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.67 26.3 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.107 0.963 . . . . 0.0 110.854 162.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.46 -105.23 0.23 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.68 61.31 1.46 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 122.876 1.322 . . . . 0.0 112.571 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 33.64 65.3 1.4 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.896 2.078 . . . . 0.0 113.781 -167.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -83.2 -171.74 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.653 2.902 . . . . 0.0 109.244 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -50.54 -19.34 0.86 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.479 ' H ' ' CD1' ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.502 ' CD2' HD12 ' A' ' 106' ' ' LEU . 4.2 t-160 -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 102' ' ' HIS . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 44.29 78.52 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -74.95 3.16 8.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.419 1.488 . . . . 0.0 113.776 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 72.29 -42.2 0.53 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 128.825 2.85 . . . . 0.0 114.339 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.54 165.34 2.2 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 157.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 164.65 1.89 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.541 0.686 . . . . 0.0 110.288 164.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.256 1.822 . . . . 0.0 107.898 -154.327 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.8 137.54 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 125.191 1.396 . . . . 0.0 108.106 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 66.03 98.55 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.87 1.268 . . . . 0.0 109.201 -152.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -128.97 144.61 51.24 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 156.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 59.78 179.99 0.09 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.03 1.332 . . . . 0.0 111.183 -170.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.84 162.86 30.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 107.169 -2.372 . . . . 0.0 107.169 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 69.64 150.62 0.09 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.176 1.39 . . . . 0.0 107.361 -130.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -151.03 141.57 22.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -60.68 -33.09 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.965 1.706 . . . . 0.0 112.279 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.51 34.95 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.688 1.995 . . . . 0.0 114.951 175.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.75 167.52 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.087 -1.008 . . . . 0.0 112.286 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -149.26 32.31 0.74 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.471 2.709 . . . . 0.0 107.392 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.31 -82.43 0.59 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -170.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 66.31 -94.81 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.294 1.838 . . . . 0.0 108.117 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.39 78.41 74.35 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 161.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.84 -85.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.681 2.254 . . . . 0.0 107.871 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -139.15 -0.73 1.81 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.982 1.713 . . . . 0.0 112.476 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.476 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.86 163.69 27.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -120.79 168.52 11.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -73.78 -15.66 61.18 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -100.07 -103.88 0.23 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 121.64 12.54 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.4 ' H ' ' CD2' ' A' ' 118' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.816 0 C-N-CA 130.86 3.664 . . . . 0.0 114.665 170.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' HD2' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' CG1' ' HD2' ' A' ' 1' ' ' ARG . 4.9 m -75.82 114.36 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.665 1.586 . . . . 0.0 110.653 -169.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -168.65 102.59 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' CG ' ' H ' ' A' ' 5' ' ' GLN . 10.1 t-80 -100.1 -160.17 0.78 Allowed 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.95 1.3 . . . . 0.0 107.776 170.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' H ' ' CG ' ' A' ' 4' ' ' HIS . 5.2 tp-100 -81.38 -13.13 58.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -162.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.55 -94.37 1.29 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-N 120.107 1.321 . . . . 0.0 112.306 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 48.94 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.335 1.854 . . . . 0.0 114.584 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 10' ' ' GLU . 11.9 m 71.84 120.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 126.49 1.916 . . . . 0.0 112.049 166.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.258 0.3 OUTLIER 66.75 -23.81 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.34 1.856 . . . . 0.0 113.101 -172.084 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 8' ' ' SER . 6.7 tt0 58.9 39.06 24.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 109.629 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.256 . . 40.59 -146.34 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 129.471 3.108 . . . . 0.0 113.411 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -138.03 3.71 2.45 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.072 1.349 . . . . 0.0 111.409 -172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -140.44 130.11 24.28 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -157.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 38.86 59.63 1.56 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.839 2.456 . . . . 0.0 111.852 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.88 -59.87 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.54 1.936 . . . . 0.0 109.003 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 -172.27 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.972 1.781 . . . . 0.0 111.745 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -70.66 15.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.337 1.455 . . . . 0.0 114.874 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.83 22.0 0.33 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 24.33 -89.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 130.678 3.591 . . . . 0.0 112.532 170.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.3 m170 171.26 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.276 2.63 . . . . 0.0 106.976 152.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.61 70.42 6.09 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.391 1.076 . . . . 0.0 108.949 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.495 ' HG2' ' H ' ' A' ' 118' ' ' LEU 0.312 0.0 OUTLIER 58.37 164.34 0.04 OUTLIER 'General case' 0 C--O 1.242 0.659 0 C-N-CA 126.1 1.76 . . . . 0.0 112.975 -172.202 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.495 ' H ' ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 -170.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.83 170.61 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.272 0.942 . . . . 0.0 109.293 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -126.63 116.63 21.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -69.24 112.45 5.83 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.453 0.57 . . . . 0.0 110.525 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.95 21.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.125 1.37 . . . . 0.0 108.268 168.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.51 82.25 0.71 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -170.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -31.14 26.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.981 1.712 . . . . 0.0 114.67 -167.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.3 m 59.21 -164.83 0.2 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.667 1.222 . . . . 0.0 113.807 169.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -73.28 15.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.519 1.928 . . . . 0.0 112.577 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 54.61 79.91 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 126.8 2.04 . . . . 0.0 107.566 -151.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.74 163.96 26.75 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 122.19 -0.319 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -130.26 -0.37 4.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.137 -0.977 . . . . 0.0 113.071 -150.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -140.33 32.27 1.9 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.853 1.261 . . . . 0.0 110.366 -157.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -80.46 -59.43 2.7 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -159.15 72.08 3.49 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 124.995 1.318 . . . . 0.0 109.69 169.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -69.63 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.324 2.683 . . . . 0.0 110.497 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -134.98 -8.54 2.34 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.974 -1.079 . . . . 0.0 112.351 166.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.475 ' HG1' ' HB3' ' A' ' 34' ' ' GLU . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' HG1' ' A' ' 31' ' ' THR . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.68 73.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -73.65 151.87 40.67 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.268 -0.895 . . . . 0.0 109.391 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.78 90.84 0.08 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.019 0.927 . . . . 0.0 108.915 160.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -166.3 -59.71 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.82 0.848 . . . . 0.0 109.663 160.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 153.11 -8.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.294 1 C-N-CA 133.43 4.692 . . . . 0.0 107.034 -165.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.337 0.4 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 128.462 2.705 . . . . 0.0 113.504 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t 71.23 136.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.669 1.588 . . . . 0.0 110.82 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 25.31 64.03 0.06 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 130.168 3.387 . . . . 0.0 116.297 164.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.73 168.13 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.241 -0.912 . . . . 0.0 110.589 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? 63.73 39.32 8.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.761 1.224 . . . . 0.0 110.984 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.91 -60.37 4.78 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 124.04 0.829 . . . . 0.0 112.187 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.17 172.13 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 127.221 2.208 . . . . 0.0 111.276 -163.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 m -59.44 151.37 24.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 166.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.289 0.5 OUTLIER 75.94 -37.77 0.32 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.055 2.542 . . . . 0.0 113.683 -179.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 51.2 86.85 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.998 1.719 . . . . 0.0 107.168 -157.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.66 99.56 2.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.357 1.063 . . . . 0.0 108.409 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.47 -4.14 24.92 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.929 -1.107 . . . . 0.0 113.619 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -87.83 -21.3 25.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.313 -0.867 . . . . 0.0 111.892 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.255 8.7 pt-20 -145.06 21.3 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' H ' ' HD2' ' A' ' 16' ' ' PRO . 2.1 tm-20 -136.67 -48.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.097 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' H ' ' A' ' 15' ' ' GLU . 82.4 Cg_endo -72.81 -167.95 0.38 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 CA-C-N 121.644 1.623 . . . . 0.0 112.793 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.33 22.22 0.17 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.754 1.621 . . . . 0.0 112.348 -168.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 16' ' ' PRO . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 ' H ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.66 64.95 0.94 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.69 161.96 29.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.305 0.574 . . . . 0.0 111.673 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.427 ' CG ' ' H ' ' A' ' 116' ' ' ASN . 1.5 t60 60.13 -156.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 147.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.427 ' H ' ' CG ' ' A' ' 115' ' ' HIS . 8.4 m120 -95.59 74.21 3.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -176.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 61.81 178.52 0.12 Allowed 'General case' 0 C--O 1.24 0.581 0 C-N-CA 127.243 2.217 . . . . 0.0 112.301 -170.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.242 2.217 . . . . 0.0 106.151 -168.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 t 65.86 175.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -162.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -54.49 7.81 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.709 -1.245 . . . . 0.0 109.769 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 55.42 50.29 15.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.211 2.204 . . . . 0.0 113.172 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.98 -64.82 0.31 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 169.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.77 38.11 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -132.61 21.49 4.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.654 1.982 . . . . 0.0 112.673 -170.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 86.11 154.09 0.08 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 129.124 2.97 . . . . 0.0 110.347 169.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -38.04 89.6 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.547 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -159.35 97.09 1.33 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.58 171.88 19.21 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 119.216 0.916 . . . . 0.0 111.568 163.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -136.45 9.16 3.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.699 1.6 . . . . 0.0 111.74 174.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -136.87 68.93 1.41 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -165.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.54 -40.7 2.76 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.071 0.549 . . . . 0.0 110.819 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.47 61.53 1.79 Allowed Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 127.119 2.168 . . . . 0.0 108.553 164.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -76.1 -179.52 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 N-CA-C 108.576 -1.355 . . . . 0.0 108.576 173.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -54.09 -14.99 1.23 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -172.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.402 ' CE3' HG13 ' A' ' 19' ' ' ILE . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' H ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.489 ' HG1' ' HG2' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' HG2' ' HG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.63 109.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.33 162.05 34.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.134 1.374 . . . . 0.0 111.665 -173.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.4 172.63 3.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.745 164.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 72.59 4.19 4.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.723 1.609 . . . . 0.0 113.762 172.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 65.11 178.94 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.304 1.842 . . . . 0.0 110.74 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 124.757 1.223 . . . . 0.0 108.706 -153.198 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.3 t -145.29 114.98 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 -168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m 144.66 177.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 1 C-N-CA 132.19 4.196 . . . . 0.0 105.375 -163.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -142.52 157.94 44.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -60.15 117.16 4.8 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 -126.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 41.38 1.02 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.89 1.276 . . . . 0.0 110.378 169.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -47.14 118.96 2.34 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.371 1.869 . . . . 0.0 110.423 -170.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 t -56.03 -56.02 25.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -163.2 133.45 4.45 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 129.788 3.235 . . . . 0.0 104.206 164.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.33 1.28 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -100.24 3.33 43.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.527 1.531 . . . . 0.0 110.717 174.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 15' ' ' GLU . 21.5 m-85 -65.28 174.35 2.13 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.794 -1.191 . . . . 0.0 109.973 163.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 66.75 -10.35 0.3 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.269 1.828 . . . . 0.0 114.688 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 13' ' ' PHE . 7.4 mm-40 -69.59 161.59 73.11 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.45 2.7 . . . . 0.0 113.629 -173.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -73.29 17.49 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 127.163 5.242 . . . . 0.0 113.837 -166.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.13 -52.35 2.41 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.926 1.69 . . . . 0.0 109.689 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.478 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.06 91.23 0.46 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -99.88 -178.9 4.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.38 0.672 . . . . 0.0 110.203 -173.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -77.51 52.06 0.94 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.97 0.908 . . . . 0.0 109.817 168.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -173.94 160.63 3.57 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.678 2.791 . . . . 0.0 105.861 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.47 173.03 4.36 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.956 0.502 . . . . 0.0 109.759 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.848 0.859 . . . . 0.0 108.915 -163.787 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.408 0.147 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 92' ' ' THR . 86.6 t60 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 69' ' ' ALA . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.505 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 103' ' ' LEU . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.555 ' HB2' HD12 ' A' ' 95' ' ' LEU . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 18' ' ' VAL . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 103' ' ' LEU . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.764 ' CH2' HD23 ' A' ' 103' ' ' LEU . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 74' ' ' ASP . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.548 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HE ' ' HB2' ' A' ' 69' ' ' ALA . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.764 HD23 ' CH2' ' A' ' 22' ' ' TRP . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' HG13 ' A' ' 99' ' ' VAL . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 69' ' ' ALA . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.669 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 . . . . . 0 C--O 1.219 -0.517 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.56 ' HB ' HD21 ' A' ' 103' ' ' LEU . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 24' ' ' LEU . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' N ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 99' ' ' VAL . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 69' ' ' ALA . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 49' ' ' ILE . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 18' ' ' VAL . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.696 ' O ' HD22 ' A' ' 24' ' ' LEU . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' HZ2' HD22 ' A' ' 103' ' ' LEU . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' HD21 ' A' ' 35' ' ' LEU . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 99' ' ' VAL . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.445 HG21 HD12 ' A' ' 49' ' ' ILE . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.42 HD22 ' HZ2' ' A' ' 22' ' ' TRP . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.336 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.56 ' O ' HD22 ' A' ' 24' ' ' LEU . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' CD ' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.48 HD13 ' CD ' ' A' ' 84' ' ' LYS . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.492 HH11 HD23 ' A' ' 95' ' ' LEU . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.468 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 95' ' ' LEU . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.468 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.561 ' O ' HD22 ' A' ' 24' ' ' LEU . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.676 ' H ' HD12 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 38' ' ' PHE . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.447 ' HB2' HD12 ' A' ' 95' ' ' LEU . 63.5 t60 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.72 -0.104 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 103' ' ' LEU . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.848 ' HB2' HD12 ' A' ' 95' ' ' LEU . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 103' ' ' LEU . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 ' HA ' ' A' ' 46' ' ' GLU . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.419 HG21 HD12 ' A' ' 49' ' ' ILE . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 18' ' ' VAL . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.505 ' H ' HD22 ' A' ' 30' ' ' LEU . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 29' ' ' ASN . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 69' ' ' ALA . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD2' HD13 ' A' ' 88' ' ' LEU . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.405 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 52' ' ' HIS . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' CD2' HD11 ' A' ' 42' ' ' LEU . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 22' ' ' TRP . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.49 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.411 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 103' ' ' LEU . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.746 ' H ' HD12 ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD12 ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 95' ' ' LEU . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 18' ' ' VAL . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 103' ' ' LEU . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CZ3' ' A' ' 22' ' ' TRP . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.544 ' HH2' HD12 ' A' ' 103' ' ' LEU . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 91' ' ' ARG . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.529 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.544 HD12 ' HH2' ' A' ' 22' ' ' TRP . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 42' ' ' LEU . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 HG21 ' A' ' 99' ' ' VAL . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 49' ' ' ILE . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.56 ' CH2' HD12 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.67 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 69' ' ' ALA . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.651 ' H ' HG23 ' A' ' 72' ' ' VAL . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD12 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' HD12 ' A' ' 24' ' ' LEU . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' ILE . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 99' ' ' VAL . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 81' ' ' SER . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' HD13 ' A' ' 66' ' ' LEU . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.596 HG21 HD12 ' A' ' 49' ' ' ILE . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 103' ' ' LEU . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.685 ' CZ2' HD12 ' A' ' 106' ' ' LEU . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' CG ' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 22' ' ' TRP . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 106' ' ' LEU . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.429 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 81' ' ' SER . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.471 ' HB2' HD13 ' A' ' 66' ' ' LEU . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 52' ' ' HIS . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 18' ' ' VAL . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 103' ' ' LEU . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 49' ' ' ILE . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 ' HA ' ' A' ' 46' ' ' GLU . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' CG ' HD12 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 74' ' ' ASP . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.518 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 52' ' ' HIS . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.14 139.53 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 121.861 -0.524 . . . . 0.0 109.906 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -152.57 155.39 37.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.87 146.22 50.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -57.08 4.09 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 162.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.55 60.34 2.11 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.09 -144.37 0.19 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 168.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 m -142.16 60.52 1.46 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.669 1.588 . . . . 0.0 108.77 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -165.05 -19.42 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.166 -161.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -73.47 -166.24 0.33 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 127.155 2.182 . . . . 0.0 108.378 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.17 124.78 41.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 158.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 16.59 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 132.814 4.446 . . . . 0.0 116.139 -171.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.94 62.03 0.64 Allowed 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 127.596 2.358 . . . . 0.0 108.045 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.89 -72.79 0.68 Allowed 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.98 65.23 5.58 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.6 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.768 2.312 . . . . 0.0 111.268 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.22 5.76 2.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.499 1.919 . . . . 0.0 111.088 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 118' ' ' LEU . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 92' ' ' THR . 86.6 t60 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 69' ' ' ALA . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.505 ' HA ' ' CE1' ' A' ' 52' ' ' HIS . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.7 85.53 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.895 ' H ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -60.02 -73.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.688 -161.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.2 p80 163.51 -40.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.028 2.531 . . . . 0.0 111.512 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -107.18 57.35 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.831 1.196 . . . . 0.0 108.592 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' C ' HD23 ' A' ' 118' ' ' LEU 0.297 8.8 tm-20 56.37 178.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -157.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.895 HD22 ' H ' ' A' ' 114' ' ' ARG . 3.4 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 120.314 -1.491 . . . . 0.0 109.65 -157.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -139.2 -78.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -159.06 179.4 9.08 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.918 1.687 . . . . 0.0 108.243 -164.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -122.67 -75.28 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -71.6 164.01 26.68 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.24 53.2 48.27 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.333 0.968 . . . . 0.0 115.143 164.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.68 178.86 4.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.999 0.899 . . . . 0.0 109.231 157.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -71.6 167.1 20.48 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-N 118.553 0.615 . . . . 0.0 110.667 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -67.82 -14.46 62.97 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.29 1.436 . . . . 0.0 112.339 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.24 61.28 0.18 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.568 -1.332 . . . . 0.0 111.298 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.51 87.19 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.225 1.012 . . . . 0.0 111.848 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.86 -0.42 30.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.076 1.35 . . . . 0.0 112.141 163.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.55 59.37 2.96 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 126.585 1.954 . . . . 0.0 110.799 -170.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -164.56 29.27 0.07 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.85 -162.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.03 146.51 35.83 Favored Pre-proline 0 C--O 1.24 0.555 0 O-C-N 120.617 -1.302 . . . . 0.0 114.485 -159.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.98 77.18 2.79 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.761 2.974 . . . . 0.0 108.055 170.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -153.64 -76.57 0.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 166.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 103' ' ' LEU . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.555 ' HB2' HD12 ' A' ' 95' ' ' LEU . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 18' ' ' VAL . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 118' ' ' LEU . . . 29.2 68.67 0.08 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -74.62 165.25 25.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.442 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -80.63 71.32 7.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 165.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.24 10.91 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.218 1.007 . . . . 0.0 112.729 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.32 23.7 tt0 60.89 30.45 19.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 123.258 1.504 . . . . 0.0 112.479 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.7 mp . . . . . 0 C--O 1.244 0.768 0 C-N-CA 128.82 2.848 . . . . 0.0 111.798 144.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG13 ' H ' ' A' ' 3' ' ' SER . 1.5 p -159.85 -84.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.502 ' H ' HG13 ' A' ' 2' ' ' VAL . 32.2 t -150.6 148.13 28.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 160.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -106.77 0.87 24.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.452 1.101 . . . . 0.0 111.08 172.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -50.36 9.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.403 0.681 . . . . 0.0 111.14 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.58 26.85 73.61 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.912 -0.938 . . . . 0.0 112.137 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.69 107.13 1.49 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.856 1.328 . . . . 0.0 109.117 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -153.68 -179.3 7.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.738 0.78 . . . . 0.0 109.595 155.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -73.71 11.56 0.82 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.63 2.772 . . . . 0.0 112.103 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.97 34.09 2.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.558 0.743 . . . . 0.0 112.746 -169.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 91.8 165.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 1 C-N-CA 131.844 4.058 . . . . 0.0 109.153 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -123.4 15.63 9.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.721 1.608 . . . . 0.0 109.238 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.08 65.21 0.82 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.822 1.649 . . . . 0.0 108.097 -165.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.36 -95.84 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 170.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -126.82 79.24 72.51 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 165.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -73.62 -73.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.661 2.241 . . . . 0.0 111.928 -172.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -149.53 -39.81 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.33 1.452 . . . . 0.0 111.453 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 103' ' ' LEU . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.764 ' CH2' HD23 ' A' ' 103' ' ' LEU . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 74' ' ' ASP . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HE ' ' HB2' ' A' ' 69' ' ' ALA . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.764 HD23 ' CH2' ' A' ' 22' ' ' TRP . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.96 74.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -64.99 167.02 8.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.526 0.731 . . . . 0.0 109.63 173.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -94.7 -10.34 32.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.075 0.464 . . . . 0.0 111.251 172.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.56 173.4 12.0 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 151.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -58.82 155.13 13.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.482 0.658 . . . . 0.0 109.802 155.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 109' ' ' ARG . 6.9 mp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 115.072 -2.394 . . . . 0.0 115.017 -147.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.39 40.86 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 121.1 1.773 . . . . 0.0 113.293 -160.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.84 71.97 1.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -151.17 72.39 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 45.71 -93.06 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 128.543 2.737 . . . . 0.0 111.337 -171.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.6 40.3 97.46 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.951 -0.916 . . . . 0.0 114.143 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 53.65 69.09 0.75 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.806 1.643 . . . . 0.0 111.097 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.35 101.17 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.461 1.504 . . . . 0.0 110.945 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 11' ' ' ALA . 8.9 t -58.92 -29.41 67.06 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.039 169.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 73.65 33.76 1.01 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.171 2.589 . . . . 0.0 108.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' H ' HG23 ' A' ' 9' ' ' THR . . . -132.74 -164.28 1.45 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.598 1.559 . . . . 0.0 108.689 167.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.7 1.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.292 2.237 . . . . 0.0 115.244 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 44.25 40.41 3.62 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.048 2.139 . . . . 0.0 112.338 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.39 -61.75 2.37 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.388 1.075 . . . . 0.0 112.098 -167.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.54 59.21 3.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.689 0.796 . . . . 0.0 111.564 164.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.27 173.32 13.92 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 N-CA-C 109.168 -1.128 . . . . 0.0 109.168 161.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -55.85 -8.87 0.47 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' HG13 ' A' ' 99' ' ' VAL . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 69' ' ' ALA . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.669 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 56.44 -38.12 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.95 -163.7 0.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.291 1.837 . . . . 0.0 110.139 168.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -140.47 32.11 1.88 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.223 1.409 . . . . 0.0 108.098 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.75 170.27 22.0 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.816 2.046 . . . . 0.0 106.612 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.95 157.56 34.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.925 0.784 . . . . 0.0 110.892 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.161 -166.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.591 ' HG3' HG12 ' A' ' 2' ' ' VAL . 3.7 tpt180 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG12 ' HG3' ' A' ' 1' ' ' ARG . 9.2 p -48.23 156.14 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.538 1.535 . . . . 0.0 110.513 165.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -136.9 134.63 37.03 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -163.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 157.76 43.52 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.792 1.637 . . . . 0.0 107.33 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -29.51 65.21 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.31 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.32 91.87 0.08 OUTLIER Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 43.44 36.51 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.406 2.282 . . . . 0.0 114.986 167.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 m 57.28 157.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.898 2.079 . . . . 0.0 114.181 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -65.86 -45.83 80.67 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 120.399 -1.438 . . . . 0.0 108.038 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 132.94 0.65 Allowed 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 127.703 2.401 . . . . 0.0 105.448 -174.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' H ' ' A' ' 13' ' ' PHE . . . -160.51 158.94 30.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.517 1.127 . . . . 0.0 109.41 171.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.89 8.34 44.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.649 0.78 . . . . 0.0 110.452 153.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' H ' ' HB1' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -132.95 155.89 48.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 O-C-N 120.65 -1.281 . . . . 0.0 110.531 -167.31 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 35.66 46.79 0.33 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.322 2.649 . . . . 0.0 112.754 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -163.08 -64.22 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.679 1.592 . . . . 0.0 107.898 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.28 169.86 14.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.044 1.829 . . . . 0.0 111.545 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.63 1.36 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 128.875 2.87 . . . . 0.0 116.504 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.56 ' HB ' HD21 ' A' ' 103' ' ' LEU . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 24' ' ' LEU . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' N ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 99' ' ' VAL . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 69' ' ' ALA . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 49' ' ' ILE . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 18' ' ' VAL . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HB3' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.52 77.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -63.18 -74.28 0.1 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.954 -174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 153.45 173.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.482 1 C-N-CA 133.196 4.598 . . . . 0.0 105.884 -171.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 t30 55.3 41.36 31.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.093 1.757 . . . . 0.0 112.428 168.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 57.46 168.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 C-N-CA 128.02 2.528 . . . . 0.0 112.183 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 109' ' ' ARG . 3.4 mp . . . . . 0 C--O 1.248 0.975 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 -163.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -59.23 176.14 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 120.044 1.293 . . . . 0.0 110.17 155.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.77 -145.13 0.18 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 120.879 -1.138 . . . . 0.0 108.624 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -152.22 143.67 23.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.975 1.71 . . . . 0.0 108.86 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.5 129.22 39.12 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.43 19.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.459 -1.189 . . . . 0.0 114.418 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -126.47 -56.95 1.39 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.964 1.382 . . . . 0.0 109.862 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -71.53 140.8 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.015 0.526 . . . . 0.0 109.923 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -70.06 13.18 0.17 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.128 1.771 . . . . 0.0 113.201 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.47 165.85 34.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.373 1.869 . . . . 0.0 108.008 -167.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.89 152.74 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.14 6.54 4.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.351 1.46 . . . . 0.0 107.687 172.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 64.41 -177.42 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 128.227 2.611 . . . . 0.0 110.023 -171.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.66 84.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.358 2.263 . . . . 0.0 113.14 -170.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 153.5 -44.83 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 130.265 3.426 . . . . 0.0 111.36 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 18' ' ' VAL . 20.6 Cg_endo -60.03 163.56 13.92 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 CA-C-N 121.327 1.51 . . . . 0.0 111.781 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.31 14.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.805 2.442 . . . . 0.0 114.035 -171.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 16' ' ' PRO 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.696 ' O ' HD22 ' A' ' 24' ' ' LEU . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' HZ2' HD22 ' A' ' 103' ' ' LEU . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' HD21 ' A' ' 35' ' ' LEU . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 99' ' ' VAL . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.445 HG21 HD12 ' A' ' 49' ' ' ILE . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.42 HD22 ' HZ2' ' A' ' 22' ' ' TRP . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.53 ' HB3' HD12 ' A' ' 118' ' ' LEU . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.49 -22.77 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.511 ' HD3' ' H ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER 58.56 -134.44 1.0 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.402 -2.061 . . . . 0.0 107.85 162.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.511 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 1.1 t60 -160.71 23.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 120.038 1.29 . . . . 0.0 111.377 173.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -139.63 -71.31 0.39 Allowed 'General case' 0 C--O 1.225 -0.202 0 O-C-N 120.913 -1.117 . . . . 0.0 108.214 -167.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 154.09 156.68 0.01 OUTLIER 'General case' 0 C--O 1.246 0.92 1 C-N-CA 133.661 4.785 . . . . 0.0 102.723 -159.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 109' ' ' ARG . 16.8 mt . . . . . 0 C--O 1.248 1.008 0 O-C-N 121.814 -0.553 . . . . 0.0 112.48 -141.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.449 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' H ' ' CG ' ' A' ' 1' ' ' ARG . 21.3 m -72.22 124.88 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 126.347 1.859 . . . . 0.0 108.738 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -161.24 112.63 1.79 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.191 1.796 . . . . 0.0 106.949 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 112.72 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 157.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.68 94.29 1.34 Allowed 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.95 -177.66 40.95 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 108.408 -1.877 . . . . 0.0 108.408 -161.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -165.69 19.61 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.397 2.279 . . . . 0.0 111.619 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -92.52 124.91 36.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.368 -0.832 . . . . 0.0 110.145 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.293 0.7 OUTLIER 55.07 7.12 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 129.345 3.058 . . . . 0.0 114.081 -174.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -118.89 -171.1 2.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.139 2.176 . . . . 0.0 107.828 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.6 136.2 35.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.061 0.545 . . . . 0.0 109.679 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -78.58 35.72 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 112.468 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CE1' ' HE3' ' A' ' 100' ' ' LYS . 94.0 m-85 -109.86 34.05 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.232 1.413 . . . . 0.0 107.537 168.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.9 76.96 1.53 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -134.47 164.01 47.09 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 126.135 1.774 . . . . 0.0 107.99 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.27 -48.16 21.17 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.833 2.356 . . . . 0.0 112.076 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -71.45 0.07 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 128.483 2.713 . . . . 0.0 114.521 -159.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.56 ' O ' HD22 ' A' ' 24' ' ' LEU . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HG3' ' HA ' ' A' ' 117' ' ' GLU . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' CD ' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.48 HD13 ' CD ' ' A' ' 84' ' ' LYS . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.492 HH11 HD23 ' A' ' 95' ' ' LEU . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 59.97 122.15 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -144.41 150.68 38.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 -161.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.12 174.52 0.65 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.433 0.458 . . . . 0.0 111.172 173.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.8 m120 49.24 37.31 10.96 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.833 1.253 . . . . 0.0 112.82 163.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HA ' ' HG3' ' A' ' 34' ' ' GLU 0.348 2.0 tt0 58.29 49.36 11.18 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.954 1.359 . . . . 0.0 112.471 172.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.281 8.6 mp . . . . . 0 C--O 1.249 1.063 0 C-N-CA 128.744 2.818 . . . . 0.0 112.289 159.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.492 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 1' ' ' ARG . 11.3 m -50.39 139.27 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 119.087 0.858 . . . . 0.0 111.771 165.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -149.59 100.62 3.0 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -170.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -164.47 -63.34 0.04 OUTLIER 'General case' 0 C--O 1.231 0.091 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 44.25 70.29 0.34 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.01 1.724 . . . . 0.0 109.488 -163.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.87 146.16 18.05 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 105.409 -3.076 . . . . 0.0 105.409 147.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -146.63 154.24 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 167.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p 67.57 109.74 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.888 1.675 . . . . 0.0 110.698 -174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.252 2.6 t 57.35 7.22 0.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.168 1.787 . . . . 0.0 115.11 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -115.25 74.31 0.88 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 42.59 -156.21 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.845 2.058 . . . . 0.0 111.994 -164.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -151.39 5.6 0.47 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.445 2.698 . . . . 0.0 111.16 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -112.36 -159.06 0.67 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER 66.49 6.85 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.474 0.31 . . . . 0.0 111.482 176.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 139.3 97.45 Favored Pre-proline 0 N--CA 1.444 -0.73 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -58.98 -29.86 91.75 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.331 1.354 . . . . 0.0 112.009 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -47.51 -53.54 14.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 128.007 2.523 . . . . 0.0 113.865 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.468 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 95' ' ' LEU . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 14' ' ' GLU . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.468 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.524 ' HB3' HD13 ' A' ' 118' ' ' LEU . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.28 60.16 2.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -73.47 163.74 27.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.816 1.246 . . . . 0.0 111.76 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -75.78 83.29 2.74 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 158.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 t30 175.15 170.42 0.29 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 130.297 3.439 . . . . 0.0 105.685 171.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.54 173.35 5.11 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.72 162.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 109' ' ' ARG . 47.4 mt . . . . . 0 C--O 1.245 0.843 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -157.95 177.77 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.534 2.334 . . . . 0.0 105.106 -165.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -170.49 0.89 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.617 1.553 . . . . 0.0 113.169 -171.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -133.67 77.96 1.75 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.483 2.313 . . . . 0.0 106.459 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -67.53 -176.81 0.65 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.299 1.047 . . . . 0.0 109.443 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.66 37.68 3.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 125.728 1.633 . . . . 0.0 110.599 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 63.61 -68.01 0.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.765 2.826 . . . . 0.0 111.559 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m 58.47 115.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 129.425 3.09 . . . . 0.0 113.383 -170.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 75.12 -60.54 0.51 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.809 1.244 . . . . 0.0 108.036 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 177.19 150.18 0.16 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 131.611 3.964 . . . . 0.0 105.52 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 118.97 14.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -136.17 5.78 3.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.526 1.531 . . . . 0.0 111.23 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -136.9 -40.86 0.6 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.838 0.855 . . . . 0.0 111.532 -155.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HB2' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -130.94 115.78 16.97 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 155.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.307 7.4 mt-10 153.31 -54.4 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 130.526 3.531 . . . . 0.0 108.039 168.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.34 171.2 18.73 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 CA-C-O 123.19 1.246 . . . . 0.0 113.36 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.37 13.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 128.933 2.893 . . . . 0.0 116.17 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.561 ' O ' HD22 ' A' ' 24' ' ' LEU . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' H ' HD12 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 38' ' ' PHE . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 14' ' ' GLU . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.447 ' HB2' HD12 ' A' ' 95' ' ' LEU . 63.5 t60 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.39 118.22 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -99.48 -56.76 2.31 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 119.967 -1.708 . . . . 0.0 112.178 -161.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 154.09 -34.85 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 1 C-N-CA 131.842 4.057 . . . . 0.0 108.998 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -139.82 161.83 36.62 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.75 1.62 . . . . 0.0 108.143 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.84 151.76 20.76 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.507 1.523 . . . . 0.0 113.076 -151.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.334 -157.065 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t 61.13 165.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 126.645 1.978 . . . . 0.0 109.57 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.3 -167.96 0.14 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.707 1.242 . . . . 0.0 111.834 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 -79.32 0.29 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 168.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -66.82 -27.73 67.8 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.468 1.107 . . . . 0.0 111.509 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.86 -160.32 50.28 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -167.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 59.46 82.42 0.15 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.342 1.457 . . . . 0.0 109.367 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.18 117.31 2.93 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.316 0.646 . . . . 0.0 109.298 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -78.27 -53.22 7.55 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -172.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -179.92 127.82 0.08 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.455 -3.535 . . . . 0.0 101.455 -170.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.56 -154.79 0.05 Allowed 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.942 0.897 . . . . 0.0 112.735 -162.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 50.27 35.9 11.56 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.997 2.119 . . . . 0.0 113.417 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -52.59 114.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.15 -1.386 . . . . 0.0 107.494 149.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 33.8 mt-10 -121.02 -88.94 0.62 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -131.72 68.98 81.27 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 119.817 1.19 . . . . 0.0 109.194 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.99 -54.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.054 2.503 . . . . 0.0 114.26 -174.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.71 -34.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.477 1.511 . . . . 0.0 110.72 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 103' ' ' LEU . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 14' ' ' GLU . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.848 ' HB2' HD12 ' A' ' 95' ' ' LEU . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' A' ' 114' ' ' ARG . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.28 -54.27 0.0 OUTLIER 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HB3' ' HD3' ' A' ' 112' ' ' ARG . 4.9 ptm180 52.12 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 129.179 2.991 . . . . 0.0 116.889 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.3 m170 55.37 -162.99 0.14 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 127.046 2.138 . . . . 0.0 112.104 -169.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 t30 83.9 -83.11 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 129.094 2.958 . . . . 0.0 106.458 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -167.08 -25.99 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.984 2.114 . . . . 0.0 110.146 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 109' ' ' ARG 0.284 1.4 pt? . . . . . 0 C--O 1.249 1.027 0 C-N-CA 126.387 1.875 . . . . 0.0 112.719 170.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.81 148.0 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 125.404 1.482 . . . . 0.0 107.762 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 24.33 90.71 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.862 2.865 . . . . 0.0 115.014 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.37 12.79 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.989 -1.07 . . . . 0.0 112.924 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -146.58 77.27 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.97 103.82 1.83 Allowed Glycine 0 C--N 1.335 0.502 0 N-CA-C 106.343 -2.703 . . . . 0.0 106.343 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -64.67 -24.49 67.59 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.98 -166.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m 46.88 88.92 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.135 1.774 . . . . 0.0 114.766 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -174.48 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.226 1.579 . . . . 0.0 111.696 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -147.91 33.58 0.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.555 1.525 . . . . 0.0 111.035 -167.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.43 112.85 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.009 1.324 . . . . 0.0 109.697 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -94.68 20.05 9.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.926 1.69 . . . . 0.0 110.658 166.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.63 170.61 8.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.793 -1.192 . . . . 0.0 110.449 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.351 2.5 pt-20 54.02 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 129.402 3.081 . . . . 0.0 112.198 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.72 158.88 33.05 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 120.802 -1.187 . . . . 0.0 111.353 -174.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.94 16.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 1 C-N-CA 127.307 5.338 . . . . 0.0 114.977 166.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -81.44 0.56 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.561 1.144 . . . . 0.0 107.985 171.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 103' ' ' LEU . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 ' HA ' ' A' ' 46' ' ' GLU . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.419 HG21 HD12 ' A' ' 49' ' ' ILE . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 18' ' ' VAL . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.445 ' HB3' HD13 ' A' ' 118' ' ' LEU . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.59 108.9 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.51 145.54 38.87 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -56.64 -31.82 64.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.17 -62.86 1.29 Allowed 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.443 -170.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 154.35 166.12 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.783 1 C-N-CA 133.025 4.53 . . . . 0.0 105.453 -170.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 109' ' ' ARG . 5.3 mt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 115.941 -1.981 . . . . 0.0 112.958 -153.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 117.241 -1.362 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.29 25.0 t 67.17 120.45 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.885 1.674 . . . . 0.0 110.359 171.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.59 118.45 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.903 -1.123 . . . . 0.0 108.972 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m80 63.18 167.36 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.693 2.397 . . . . 0.0 112.365 -165.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.08 -72.79 0.39 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.19 -166.39 12.19 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -33.33 75.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.528 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -136.74 163.86 29.63 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.49 1.116 . . . . 0.0 109.841 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -91.36 -34.48 14.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.511 0.724 . . . . 0.0 109.19 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -154.24 116.15 4.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.69 17.44 16.48 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.354 0.525 . . . . 0.0 112.218 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 73.68 6.32 4.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.553 1.541 . . . . 0.0 110.868 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.16 -78.34 0.58 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 125.543 1.537 . . . . 0.0 110.328 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -93.44 59.25 2.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' ' HD2' ' A' ' 16' ' ' PRO . 1.6 mm-40 -161.91 -48.74 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 C-N-CA 125.29 1.436 . . . . 0.0 110.536 168.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' ' H ' ' A' ' 15' ' ' GLU . 36.8 Cg_endo -70.23 177.47 5.87 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 CA-C-N 121.052 1.411 . . . . 0.0 111.292 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -74.72 -11.38 60.16 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.143 -163.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.505 ' H ' HD22 ' A' ' 30' ' ' LEU . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 29' ' ' ASN . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.513 HG21 ' H ' ' A' ' 116' ' ' ASN . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 69' ' ' ALA . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD2' HD13 ' A' ' 88' ' ' LEU . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 52' ' ' HIS . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' HD23 ' A' ' 118' ' ' LEU . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' A' ' 118' ' ' LEU . . . 46.16 72.58 0.22 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -77.67 178.67 7.13 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.773 0.32 . . . . 0.0 110.2 174.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -84.45 158.82 20.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.513 ' H ' HG21 ' A' ' 31' ' ' THR . 83.8 m-20 50.38 62.02 2.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.397 2.679 . . . . 0.0 112.378 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.266 0.9 OUTLIER 53.86 177.7 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.857 2.463 . . . . 0.0 111.159 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.496 HD13 ' HG3' ' A' ' 34' ' ' GLU . 5.1 mp . . . . . 0 C--O 1.253 1.254 0 O-C-N 119.018 -2.301 . . . . 0.0 114.18 -147.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -48.81 157.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.14 0.976 . . . . 0.0 111.464 168.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -61.5 -51.95 66.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 160.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 50.26 90.94 0.02 OUTLIER 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.284 1.434 . . . . 0.0 107.548 -158.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -131.09 -80.68 0.53 Allowed 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.81 174.82 42.96 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -166.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.73 -68.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 160.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 150.73 3.71 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 128.684 2.794 . . . . 0.0 107.958 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t 168.69 -60.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.14 2.976 . . . . 0.0 106.409 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.79 89.94 0.83 Allowed 'General case' 0 C--O 1.233 0.233 0 C-N-CA 128.983 2.913 . . . . 0.0 104.573 166.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.44 177.68 0.11 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.43 2.292 . . . . 0.0 114.648 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -132.47 28.07 4.36 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.759 2.424 . . . . 0.0 108.755 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 103' ' ' LEU . 74.2 m-85 -78.07 78.64 4.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 167.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 -52.56 4.02 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -164.36 57.98 0.6 Allowed Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 127.626 2.37 . . . . 0.0 107.292 167.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.34 -175.67 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 CA-C-N 120.888 1.353 . . . . 0.0 110.682 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -57.61 -12.94 3.19 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.026 1.731 . . . . 0.0 113.847 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' CD2' HD11 ' A' ' 42' ' ' LEU . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 22' ' ' TRP . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 13' ' ' PHE . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 118' ' ' LEU . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 118' ' ' LEU . . . 65.51 39.35 5.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' CA ' ' HB2' ' A' ' 118' ' ' LEU . 76.1 mtt180 -140.74 171.8 13.59 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.926 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.3 t60 97.48 -100.46 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 134.616 5.166 . . . . 0.0 113.781 174.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -102.66 108.45 19.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -167.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 94.8 -65.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 130.98 3.712 . . . . 0.0 107.353 -161.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 C-N-CA 125.379 1.471 . . . . 0.0 110.941 -161.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.8 t -135.5 91.98 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -172.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t 57.54 168.31 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.913 2.085 . . . . 0.0 113.029 -161.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 154.43 94.27 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 1 C-N-CA 133.018 4.527 . . . . 0.0 104.703 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.56 -56.11 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.518 1.527 . . . . 0.0 109.437 169.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.54 95.78 0.39 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -142.45 174.05 10.98 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.956 0.903 . . . . 0.0 111.042 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t 61.39 173.79 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.352 1.861 . . . . 0.0 111.714 -174.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -75.72 -22.2 56.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.287 167.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -158.31 113.88 2.68 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 77.73 1.11 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.841 0.457 . . . . 0.0 111.825 167.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.67 26.3 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.107 0.963 . . . . 0.0 110.854 162.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.46 -105.23 0.23 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.68 61.31 1.46 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 122.876 1.322 . . . . 0.0 112.571 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 33.64 65.3 1.4 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.896 2.078 . . . . 0.0 113.781 -167.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HG2' HG22 ' A' ' 18' ' ' VAL . 20.2 Cg_endo -83.2 -171.74 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.653 2.902 . . . . 0.0 109.244 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -50.54 -19.34 0.86 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 103' ' ' LEU . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.746 ' H ' HD12 ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD12 ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 95' ' ' LEU . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 18' ' ' VAL . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HB3' HD23 ' A' ' 118' ' ' LEU . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 44.29 78.52 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -74.95 3.16 8.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.419 1.488 . . . . 0.0 113.776 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 72.29 -42.2 0.53 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 128.825 2.85 . . . . 0.0 114.339 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.54 165.34 2.2 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 157.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 164.65 1.89 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.541 0.686 . . . . 0.0 110.288 164.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 109' ' ' ARG . 3.6 mp . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.256 1.822 . . . . 0.0 107.898 -154.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.8 137.54 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 125.191 1.396 . . . . 0.0 108.106 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 66.03 98.55 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.87 1.268 . . . . 0.0 109.201 -152.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -128.97 144.61 51.24 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 156.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 59.78 179.99 0.09 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.03 1.332 . . . . 0.0 111.183 -170.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.84 162.86 30.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 107.169 -2.372 . . . . 0.0 107.169 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 69.64 150.62 0.09 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.176 1.39 . . . . 0.0 107.361 -130.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -151.03 141.57 22.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 9' ' ' THR . 1.4 t -60.68 -33.09 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.965 1.706 . . . . 0.0 112.279 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.51 34.95 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.688 1.995 . . . . 0.0 114.951 175.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.75 167.52 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.087 -1.008 . . . . 0.0 112.286 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -149.26 32.31 0.74 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.471 2.709 . . . . 0.0 107.392 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.31 -82.43 0.59 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -170.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 66.31 -94.81 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.294 1.838 . . . . 0.0 108.117 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.39 78.41 74.35 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 161.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.84 -85.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.681 2.254 . . . . 0.0 107.871 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -139.15 -0.73 1.81 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.982 1.713 . . . . 0.0 112.476 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 103' ' ' LEU . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CZ3' ' A' ' 22' ' ' TRP . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.544 ' HH2' HD12 ' A' ' 103' ' ' LEU . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 91' ' ' ARG . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.529 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.544 HD12 ' HH2' ' A' ' 22' ' ' TRP . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -131.86 163.69 27.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -120.79 168.52 11.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -73.78 -15.66 61.18 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -100.07 -103.88 0.23 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 121.64 12.54 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.816 0 C-N-CA 130.86 3.664 . . . . 0.0 114.665 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.724 ' HD2' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.724 HG13 ' HD2' ' A' ' 1' ' ' ARG . 4.9 m -75.82 114.36 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.665 1.586 . . . . 0.0 110.653 -169.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -168.65 102.59 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -100.1 -160.17 0.78 Allowed 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.95 1.3 . . . . 0.0 107.776 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -81.38 -13.13 58.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -162.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.55 -94.37 1.29 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-N 120.107 1.321 . . . . 0.0 112.306 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 48.94 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.335 1.854 . . . . 0.0 114.584 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m 71.84 120.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 126.49 1.916 . . . . 0.0 112.049 166.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.258 0.3 OUTLIER 66.75 -23.81 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.34 1.856 . . . . 0.0 113.101 -172.084 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 58.9 39.06 24.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 109.629 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.256 . . 40.59 -146.34 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 129.471 3.108 . . . . 0.0 113.411 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.4 mt-10 -138.03 3.71 2.45 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.072 1.349 . . . . 0.0 111.409 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 12' ' ' GLU . 11.8 m-85 -140.44 130.11 24.28 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -157.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 38.86 59.63 1.56 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.839 2.456 . . . . 0.0 111.852 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.88 -59.87 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.54 1.936 . . . . 0.0 109.003 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 -172.27 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.972 1.781 . . . . 0.0 111.745 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -70.66 15.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.337 1.455 . . . . 0.0 114.874 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 42' ' ' LEU . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 HG21 ' A' ' 99' ' ' VAL . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 49' ' ' ILE . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 114' ' ' ARG . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.83 22.0 0.33 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.536 ' H ' ' HG3' ' A' ' 112' ' ' ARG . 11.9 mmt85 24.33 -89.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 130.678 3.591 . . . . 0.0 112.532 170.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.3 m170 171.26 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.276 2.63 . . . . 0.0 106.976 152.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.61 70.42 6.09 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.391 1.076 . . . . 0.0 108.949 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 118' ' ' LEU 0.312 0.0 OUTLIER 58.37 164.34 0.04 OUTLIER 'General case' 0 C--O 1.242 0.659 0 C-N-CA 126.1 1.76 . . . . 0.0 112.975 -172.202 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.483 ' H ' ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 -170.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.83 170.61 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.272 0.942 . . . . 0.0 109.293 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -126.63 116.63 21.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -69.24 112.45 5.83 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.453 0.57 . . . . 0.0 110.525 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.95 21.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.125 1.37 . . . . 0.0 108.268 168.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.51 82.25 0.71 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -170.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -31.14 26.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.981 1.712 . . . . 0.0 114.67 -167.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.3 m 59.21 -164.83 0.2 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.667 1.222 . . . . 0.0 113.807 169.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -73.28 15.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.519 1.928 . . . . 0.0 112.577 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 54.61 79.91 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 126.8 2.04 . . . . 0.0 107.566 -151.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.74 163.96 26.75 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 122.19 -0.319 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -130.26 -0.37 4.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.137 -0.977 . . . . 0.0 113.071 -150.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -140.33 32.27 1.9 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.853 1.261 . . . . 0.0 110.366 -157.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -80.46 -59.43 2.7 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -159.15 72.08 3.49 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 124.995 1.318 . . . . 0.0 109.69 169.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 18' ' ' VAL . 41.8 Cg_endo -69.63 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.324 2.683 . . . . 0.0 110.497 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -134.98 -8.54 2.34 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.974 -1.079 . . . . 0.0 112.351 166.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 16' ' ' PRO . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.56 ' CH2' HD12 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.67 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 69' ' ' ALA . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.651 ' H ' HG23 ' A' ' 72' ' ' VAL . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD12 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.68 73.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -73.65 151.87 40.67 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.268 -0.895 . . . . 0.0 109.391 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.78 90.84 0.08 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.019 0.927 . . . . 0.0 108.915 160.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -166.3 -59.71 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.82 0.848 . . . . 0.0 109.663 160.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 34' ' ' GLU . 4.3 tt0 153.11 -8.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.294 1 C-N-CA 133.43 4.692 . . . . 0.0 107.034 -165.747 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.337 0.4 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 128.462 2.705 . . . . 0.0 113.504 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t 71.23 136.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.669 1.588 . . . . 0.0 110.82 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 25.31 64.03 0.06 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 130.168 3.387 . . . . 0.0 116.297 164.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.73 168.13 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.241 -0.912 . . . . 0.0 110.589 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? 63.73 39.32 8.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.761 1.224 . . . . 0.0 110.984 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.91 -60.37 4.78 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 124.04 0.829 . . . . 0.0 112.187 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.17 172.13 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 127.221 2.208 . . . . 0.0 111.276 -163.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 m -59.44 151.37 24.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 166.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.289 0.5 OUTLIER 75.94 -37.77 0.32 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.055 2.542 . . . . 0.0 113.683 -179.748 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 51.2 86.85 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.998 1.719 . . . . 0.0 107.168 -157.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.66 99.56 2.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.357 1.063 . . . . 0.0 108.409 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.47 -4.14 24.92 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.929 -1.107 . . . . 0.0 113.619 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -87.83 -21.3 25.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.313 -0.867 . . . . 0.0 111.892 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HB3' HD11 ' A' ' 49' ' ' ILE 0.255 8.7 pt-20 -145.06 21.3 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' H ' ' HD2' ' A' ' 16' ' ' PRO . 2.1 tm-20 -136.67 -48.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.097 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.621 ' HD2' ' H ' ' A' ' 15' ' ' GLU . 82.4 Cg_endo -72.81 -167.95 0.38 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 CA-C-N 121.644 1.623 . . . . 0.0 112.793 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.33 22.22 0.17 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.754 1.621 . . . . 0.0 112.348 -168.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' HD12 ' A' ' 24' ' ' LEU . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' ILE . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 99' ' ' VAL . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 81' ' ' SER . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' HD13 ' A' ' 66' ' ' LEU . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.596 HG21 HD12 ' A' ' 49' ' ' ILE . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.483 ' CB ' HD23 ' A' ' 118' ' ' LEU . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.66 64.95 0.94 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.69 161.96 29.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.305 0.574 . . . . 0.0 111.673 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.403 ' CG ' ' H ' ' A' ' 116' ' ' ASN . 1.5 t60 60.13 -156.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 147.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 115' ' ' HIS . 8.4 m120 -95.59 74.21 3.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -176.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 61.81 178.52 0.12 Allowed 'General case' 0 C--O 1.24 0.581 0 C-N-CA 127.243 2.217 . . . . 0.0 112.301 -170.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.242 2.217 . . . . 0.0 106.151 -168.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 t 65.86 175.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -162.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -54.49 7.81 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.709 -1.245 . . . . 0.0 109.769 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 55.42 50.29 15.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.211 2.204 . . . . 0.0 113.172 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.98 -64.82 0.31 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 169.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.77 38.11 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -132.61 21.49 4.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.654 1.982 . . . . 0.0 112.673 -170.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 86.11 154.09 0.08 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 129.124 2.97 . . . . 0.0 110.347 169.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -38.04 89.6 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.547 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -159.35 97.09 1.33 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.58 171.88 19.21 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 119.216 0.916 . . . . 0.0 111.568 163.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -136.45 9.16 3.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.699 1.6 . . . . 0.0 111.74 174.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -136.87 68.93 1.41 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -165.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.54 -40.7 2.76 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.071 0.549 . . . . 0.0 110.819 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.47 61.53 1.79 Allowed Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 127.119 2.168 . . . . 0.0 108.553 164.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 18' ' ' VAL . 57.8 Cg_endo -76.1 -179.52 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 N-CA-C 108.576 -1.355 . . . . 0.0 108.576 173.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -54.09 -14.99 1.23 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -172.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 103' ' ' LEU . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.685 ' CZ2' HD12 ' A' ' 106' ' ' LEU . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' CG ' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 22' ' ' TRP . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 106' ' ' LEU . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.429 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 81' ' ' SER . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.471 ' HB2' HD13 ' A' ' 66' ' ' LEU . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 52' ' ' HIS . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 18' ' ' VAL . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.63 109.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.33 162.05 34.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.134 1.374 . . . . 0.0 111.665 -173.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.4 172.63 3.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.745 164.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 72.59 4.19 4.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.723 1.609 . . . . 0.0 113.762 172.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 65.11 178.94 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.304 1.842 . . . . 0.0 110.74 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 124.757 1.223 . . . . 0.0 108.706 -153.198 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.711 ' CG ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.711 HG23 ' CG ' ' A' ' 1' ' ' ARG . 89.3 t -145.29 114.98 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 -168.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m 144.66 177.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 1 C-N-CA 132.19 4.196 . . . . 0.0 105.375 -163.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -142.52 157.94 44.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -60.15 117.16 4.8 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 -126.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 41.38 1.02 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.89 1.276 . . . . 0.0 110.378 169.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -47.14 118.96 2.34 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.371 1.869 . . . . 0.0 110.423 -170.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 t -56.03 -56.02 25.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -163.2 133.45 4.45 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 129.788 3.235 . . . . 0.0 104.206 164.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.33 1.28 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -100.24 3.33 43.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.527 1.531 . . . . 0.0 110.717 174.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.28 174.35 2.13 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.794 -1.191 . . . . 0.0 109.973 163.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 66.75 -10.35 0.3 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.269 1.828 . . . . 0.0 114.688 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.59 161.59 73.11 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.45 2.7 . . . . 0.0 113.629 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HD2' ' A' ' 1' ' ' ARG . 50.2 Cg_endo -73.29 17.49 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 127.163 5.242 . . . . 0.0 113.837 -166.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.13 -52.35 2.41 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.926 1.69 . . . . 0.0 109.689 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 103' ' ' LEU . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 49' ' ' ILE . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 ' HA ' ' A' ' 46' ' ' GLU . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' CG ' HD12 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 74' ' ' ASP . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.518 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 52' ' ' HIS . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.06 91.23 0.46 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -99.88 -178.9 4.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.38 0.672 . . . . 0.0 110.203 -173.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -77.51 52.06 0.94 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.97 0.908 . . . . 0.0 109.817 168.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -173.94 160.63 3.57 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.678 2.791 . . . . 0.0 105.861 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 2.6 mp0 -67.47 173.03 4.36 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.956 0.502 . . . . 0.0 109.759 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.848 0.859 . . . . 0.0 108.915 -163.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 120.408 0.147 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 69' ' ' ALA . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 103' ' ' LEU . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.555 ' HB2' HD12 ' A' ' 95' ' ' LEU . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 18' ' ' VAL . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 103' ' ' LEU . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.764 ' CH2' HD23 ' A' ' 103' ' ' LEU . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 74' ' ' ASP . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.548 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HE ' ' HB2' ' A' ' 69' ' ' ALA . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.764 HD23 ' CH2' ' A' ' 22' ' ' TRP . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' HG13 ' A' ' 99' ' ' VAL . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 69' ' ' ALA . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.669 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 . . . . . 0 C--O 1.219 -0.517 0 N-CA-C 116.504 2.038 . . . . 0.0 116.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.56 ' HB ' HD21 ' A' ' 103' ' ' LEU . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 24' ' ' LEU . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' N ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 99' ' ' VAL . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 69' ' ' ALA . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 49' ' ' ILE . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 18' ' ' VAL . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.696 ' O ' HD22 ' A' ' 24' ' ' LEU . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' HZ2' HD22 ' A' ' 103' ' ' LEU . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' HD21 ' A' ' 35' ' ' LEU . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 99' ' ' VAL . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.445 HG21 HD12 ' A' ' 49' ' ' ILE . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.42 HD22 ' HZ2' ' A' ' 22' ' ' TRP . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.336 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.56 ' O ' HD22 ' A' ' 24' ' ' LEU . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' CD ' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.48 HD13 ' CD ' ' A' ' 84' ' ' LYS . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.492 HH11 HD23 ' A' ' 95' ' ' LEU . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.468 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 95' ' ' LEU . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 18.1 t-80 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 52' ' ' HIS . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.468 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.561 ' O ' HD22 ' A' ' 24' ' ' LEU . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.676 ' H ' HD12 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 38' ' ' PHE . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.447 ' HB2' HD12 ' A' ' 95' ' ' LEU . 21.5 t-80 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.72 -0.104 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 103' ' ' LEU . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.848 ' HB2' HD12 ' A' ' 95' ' ' LEU . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.403 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 103' ' ' LEU . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 ' HA ' ' A' ' 46' ' ' GLU . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.419 HG21 HD12 ' A' ' 49' ' ' ILE . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 18' ' ' VAL . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.505 ' H ' HD22 ' A' ' 30' ' ' LEU . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 29' ' ' ASN . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 69' ' ' ALA . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD2' HD13 ' A' ' 88' ' ' LEU . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.405 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 52' ' ' HIS . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' CD2' HD11 ' A' ' 42' ' ' LEU . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 22' ' ' TRP . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.49 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.523 ' HA ' ' CE1' ' A' ' 102' ' ' HIS . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.411 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 103' ' ' LEU . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.746 ' H ' HD12 ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD12 ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 95' ' ' LEU . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.2 t-160 -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 18' ' ' VAL . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.587 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 103' ' ' LEU . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CZ3' ' A' ' 22' ' ' TRP . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.544 ' HH2' HD12 ' A' ' 103' ' ' LEU . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 91' ' ' ARG . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.529 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.544 HD12 ' HH2' ' A' ' 22' ' ' TRP . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 42' ' ' LEU . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 HG21 ' A' ' 99' ' ' VAL . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 49' ' ' ILE . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.474 ' CD2' HD21 ' A' ' 106' ' ' LEU . 16.5 t-160 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 . . . . . 0 N--CA 1.468 0.433 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.56 ' CH2' HD12 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.67 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 69' ' ' ALA . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.651 ' H ' HG23 ' A' ' 72' ' ' VAL . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD12 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.325 0.583 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' HD12 ' A' ' 24' ' ' LEU . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' ILE . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 99' ' ' VAL . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 81' ' ' SER . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' HD13 ' A' ' 66' ' ' LEU . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.596 HG21 HD12 ' A' ' 49' ' ' ILE . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 103' ' ' LEU . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.685 ' CZ2' HD12 ' A' ' 106' ' ' LEU . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' CG ' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 22' ' ' TRP . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 106' ' ' LEU . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.429 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 81' ' ' SER . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.471 ' HB2' HD13 ' A' ' 66' ' ' LEU . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 52' ' ' HIS . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 18' ' ' VAL . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 103' ' ' LEU . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 49' ' ' ILE . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 ' HA ' ' A' ' 46' ' ' GLU . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.404 ' CG ' HD12 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 74' ' ' ASP . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.518 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 52' ' ' HIS . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.408 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 102' ' ' HIS . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.14 139.53 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 121.861 -0.524 . . . . 0.0 109.906 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -152.57 155.39 37.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.87 146.22 50.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -57.08 4.09 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 162.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.55 60.34 2.11 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.09 -144.37 0.19 Allowed 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 168.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.1 m -142.16 60.52 1.46 Allowed 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.669 1.588 . . . . 0.0 108.77 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -165.05 -19.42 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.166 -161.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -73.47 -166.24 0.33 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 127.155 2.182 . . . . 0.0 108.378 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.17 124.78 41.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 158.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.77 16.59 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 1 C-N-CA 132.814 4.446 . . . . 0.0 116.139 -171.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -112.94 62.03 0.64 Allowed 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 127.596 2.358 . . . . 0.0 108.045 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.89 -72.79 0.68 Allowed 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -152.98 65.23 5.58 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.6 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.768 2.312 . . . . 0.0 111.268 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.22 5.76 2.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.499 1.919 . . . . 0.0 111.088 169.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.28 -71.18 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 124.74 1.216 . . . . 0.0 108.483 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -55.89 -26.39 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.963 0.905 . . . . 0.0 109.186 175.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.0 m-20 -69.1 -50.45 48.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.533 2.333 . . . . 0.0 109.062 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -39.39 71.64 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 118.148 0.431 . . . . 0.0 110.235 173.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 36.8 m0 -73.97 -17.72 60.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -72.33 -48.29 43.18 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.521 1.529 . . . . 0.0 109.453 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -71.88 -25.87 62.11 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.169 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -61.43 -12.89 16.44 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.764 1.166 . . . . 0.0 113.018 174.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -67.19 -12.34 59.78 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 120.05 1.296 . . . . 0.0 111.573 171.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 t -155.18 -3.4 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 120.545 1.521 . . . . 0.0 115.081 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -80.78 0.01 OUTLIER 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.526 1.531 . . . . 0.0 112.439 -167.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -160.82 47.54 0.22 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.503 0.721 . . . . 0.0 110.658 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -93.29 -132.84 0.15 Allowed 'General case' 0 C--O 1.239 0.544 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.9 p -147.85 165.38 30.77 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 119.507 1.049 . . . . 0.0 108.809 172.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -58.27 -39.05 78.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.497 1.119 . . . . 0.0 113.28 -175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -72.95 -54.02 9.73 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.644 1.177 . . . . 0.0 109.121 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 118' ' ' LEU . 5.2 tm-20 -50.22 -53.04 30.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 125.496 1.748 . . . . 0.0 107.72 172.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.32 -62.26 1.77 Allowed 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.09 -33.02 71.53 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 120.155 1.343 . . . . 0.0 112.126 -175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -53.42 55.27 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.6 0.636 . . . . 0.0 111.698 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -39.06 59.16 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 125.64 1.576 . . . . 0.0 108.903 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -52.66 57.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.4 -39.74 92.55 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.091 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.57 -44.67 89.99 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -31.11 68.62 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.136 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 120.772 1.623 . . . . 0.0 110.764 176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -63.59 -39.9 95.56 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.55 169.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -63.59 -57.6 9.59 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.199 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.03 -46.02 61.47 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 126.236 1.814 . . . . 0.0 108.738 176.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.96 83.04 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.648 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -65.26 -44.27 88.64 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.324 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.4 tp -66.41 -31.7 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 120.401 1.455 . . . . 0.0 109.704 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -40.94 95.62 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 120.827 -1.171 . . . . 0.0 110.913 174.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -72.89 -41.6 64.47 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.907 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -48.32 -56.77 7.22 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 119.191 0.905 . . . . 0.0 111.426 168.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.98 -49.65 15.71 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.131 1.773 . . . . 0.0 111.925 170.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -56.73 -40.51 75.85 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.804 0.729 . . . . 0.0 110.526 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -78.97 -35.34 43.2 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 116.665 -1.636 . . . . 0.0 111.377 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -59.15 -38.26 79.29 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 121.074 1.761 . . . . 0.0 109.417 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -67.31 -49.77 62.86 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.308 -0.87 . . . . 0.0 109.261 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.48 -25.51 66.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.495 -1.241 . . . . 0.0 112.269 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.83 -51.89 43.24 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 124.932 1.293 . . . . 0.0 110.301 174.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.95 87.99 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.503 0.668 . . . . 0.0 110.965 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.07 -37.99 77.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.331 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.39 84.11 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.462 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.9 t60 -60.95 -47.48 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 128.142 2.577 . . . . 0.0 110.444 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -56.12 25.97 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.845 0.858 . . . . 0.0 110.031 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.45 -23.69 67.37 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 117.185 -1.388 . . . . 0.0 112.055 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.23 -59.57 2.93 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.769 1.628 . . . . 0.0 107.102 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -32.78 66.12 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 119.171 -1.011 . . . . 0.0 109.087 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -73.99 -26.16 60.31 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -84.52 -40.38 17.7 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 126.352 1.861 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.34 -38.01 89.51 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -71.31 11.63 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.884 1.274 . . . . 0.0 114.289 173.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 69' ' ' ALA . 2.7 p -120.55 -33.77 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 120.631 1.559 . . . . 0.0 111.157 164.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.08 4.68 55.27 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-N 119.514 1.052 . . . . 0.0 114.179 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' CG ' ' HE ' ' A' ' 77' ' ' ARG . 16.9 t70 -57.5 -20.17 29.52 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.388 1.475 . . . . 0.0 114.625 -169.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.52 -70.6 1.91 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 124.543 1.068 . . . . 0.0 111.448 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.76 -56.32 10.72 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.01 1.724 . . . . 0.0 110.53 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HE ' ' CG ' ' A' ' 74' ' ' ASP . 14.3 ptp180 -72.94 -24.31 60.79 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 117.468 -1.254 . . . . 0.0 111.827 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.87 -47.64 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 120.693 1.588 . . . . 0.0 108.132 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.0 m -64.84 -46.08 83.43 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.923 0.889 . . . . 0.0 111.335 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.1 -37.17 86.61 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 121.156 -0.965 . . . . 0.0 111.61 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.7 m -49.79 -59.8 3.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.39 1.076 . . . . 0.0 108.93 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -55.52 -39.4 70.49 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 113.327 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.61 -54.09 27.21 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.355 1.462 . . . . 0.0 109.91 -175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -28.5 65.22 Favored 'General case' 0 CA--C 1.526 0.058 0 O-C-N 121.759 -0.588 . . . . 0.0 109.749 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -64.57 -53.66 44.27 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.35 79.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.623 0.769 . . . . 0.0 111.154 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.82 -54.9 38.83 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 118.763 -0.636 . . . . 0.0 110.609 172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -44.63 95.61 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.408 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -35.97 79.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.157 1.383 . . . . 0.0 111.02 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.2 -47.61 90.19 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -67.27 -33.14 74.69 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 116.324 -1.798 . . . . 0.0 111.181 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.7 p -68.53 -48.72 63.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 122.632 2.469 . . . . 0.0 110.158 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -49.41 77.95 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.457 1.026 . . . . 0.0 110.267 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -68.9 -48.94 62.09 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.362 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.17 -47.04 84.36 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.691 -1.147 . . . . 0.0 108.106 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.88 -44.68 81.85 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 119.103 0.865 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.31 -45.9 91.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.702 -0.881 . . . . 0.0 110.493 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.3 m -65.29 -43.64 90.53 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.345 0.658 . . . . 0.0 109.838 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.77 -58.95 3.2 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-O 116.247 -1.835 . . . . 0.0 107.223 171.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -52.4 -40.49 62.18 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 121.423 1.92 . . . . 0.0 112.282 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -59.44 -63.38 1.32 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.363 0.665 . . . . 0.0 109.701 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -30.68 69.64 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 118.937 -0.554 . . . . 0.0 110.931 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.72 -64.52 0.79 Allowed 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 126.849 2.06 . . . . 0.0 108.181 172.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.19 -29.22 70.22 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.108 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -69.48 -62.72 1.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.546 0.612 . . . . 0.0 109.762 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.14 -40.37 95.72 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.152 1.781 . . . . 0.0 110.823 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.8 t -53.45 -49.43 67.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.461 1.028 . . . . 0.0 108.732 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.75 -60.7 5.24 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.841 1.21 . . . . 0.0 111.219 173.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -69.68 -58.45 3.9 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.258 1.023 . . . . 0.0 109.345 -169.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mt -59.97 -28.88 42.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.232 -0.918 . . . . 0.0 110.744 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.1 m -70.68 -23.75 62.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 118.767 -1.173 . . . . 0.0 113.334 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -76.48 -53.93 7.42 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 119.578 1.081 . . . . 0.0 109.706 156.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.7 85.53 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.523 1.929 . . . . 0.0 108.595 -157.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.895 ' H ' HD22 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -60.02 -73.99 0.08 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.688 -161.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.2 p80 163.51 -40.15 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.028 2.531 . . . . 0.0 111.512 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -107.18 57.35 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.831 1.196 . . . . 0.0 108.592 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' C ' HD23 ' A' ' 118' ' ' LEU 0.297 8.8 tm-20 56.37 178.66 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -157.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.895 HD22 ' H ' ' A' ' 114' ' ' ARG . 3.4 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 120.314 -1.491 . . . . 0.0 109.65 -157.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.1 t -139.2 -78.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -159.06 179.4 9.08 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.918 1.687 . . . . 0.0 108.243 -164.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -122.67 -75.28 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -71.6 164.01 26.68 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 170.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 59.24 53.2 48.27 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.333 0.968 . . . . 0.0 115.143 164.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -73.68 178.86 4.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 117.999 0.899 . . . . 0.0 109.231 157.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -71.6 167.1 20.48 Favored 'General case' 0 C--N 1.339 0.124 0 CA-C-N 118.553 0.615 . . . . 0.0 110.667 170.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -67.82 -14.46 62.97 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.29 1.436 . . . . 0.0 112.339 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.24 61.28 0.18 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.568 -1.332 . . . . 0.0 111.298 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.51 87.19 1.49 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.225 1.012 . . . . 0.0 111.848 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.86 -0.42 30.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.076 1.35 . . . . 0.0 112.141 163.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.55 59.37 2.96 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 126.585 1.954 . . . . 0.0 110.799 -170.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -164.56 29.27 0.07 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.85 -162.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -114.03 146.51 35.83 Favored Pre-proline 0 C--O 1.24 0.555 0 O-C-N 120.617 -1.302 . . . . 0.0 114.485 -159.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.98 77.18 2.79 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 123.761 2.974 . . . . 0.0 108.055 170.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -153.64 -76.57 0.12 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 166.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 103' ' ' LEU . 7.2 p -58.08 -52.05 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-O 118.799 -0.619 . . . . 0.0 112.622 172.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -27.9 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-N 118.731 0.696 . . . . 0.0 109.39 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.56 -41.84 45.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.695 1.598 . . . . 0.0 110.509 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.46 -46.57 76.8 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 126.971 2.108 . . . . 0.0 109.128 171.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -62.31 -37.77 86.84 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.789 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.58 -54.13 45.5 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.82 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -16.58 59.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.344 -0.942 . . . . 0.0 112.957 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.49 -29.46 25.06 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.314 0.961 . . . . 0.0 111.375 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -53.84 -15.2 1.2 Allowed 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.2 m -142.65 14.41 1.95 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 120.071 1.305 . . . . 0.0 113.152 167.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.78 -61.76 2.38 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.266 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -169.61 20.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.1 mt -73.08 -168.42 0.49 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.565 2.346 . . . . 0.0 112.091 -175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 p -127.77 155.16 44.48 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.447 1.899 . . . . 0.0 108.674 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -62.33 -27.7 69.23 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -161.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -82.07 -53.21 6.29 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.419 1.088 . . . . 0.0 110.448 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -49.35 -46.95 47.65 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 125.71 1.881 . . . . 0.0 107.344 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.96 -61.11 2.51 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.874 1.27 . . . . 0.0 110.524 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.98 -33.55 73.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.611 -1.306 . . . . 0.0 110.92 -172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.9 -54.21 29.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.49 1.116 . . . . 0.0 111.485 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -39.16 73.88 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.708 0.803 . . . . 0.0 109.154 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -52.86 62.49 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -33.49 74.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 117.152 -1.819 . . . . 0.0 111.662 -177.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -65.07 -39.83 93.8 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.246 0.475 . . . . 0.0 110.445 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.08 -34.31 76.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.905 1.282 . . . . 0.0 111.18 171.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -67.93 -43.73 78.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 119.884 1.22 . . . . 0.0 110.62 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.63 -39.94 90.11 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.603 -0.686 . . . . 0.0 109.859 173.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.23 -54.68 22.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.522 0.729 . . . . 0.0 111.242 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -36.2 74.41 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.295 1.038 . . . . 0.0 108.879 -176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.12 61.41 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 123.491 0.494 . . . . 0.0 111.941 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -56.41 -52.08 65.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.068 -178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.68 -36.23 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 124.409 1.068 . . . . 0.0 110.115 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.21 -45.14 75.88 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 119.512 1.051 . . . . 0.0 110.346 174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.26 -35.91 58.71 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 117.654 -1.165 . . . . 0.0 113.472 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.555 ' HB2' HD12 ' A' ' 95' ' ' LEU . 28.4 t-80 -48.06 -63.11 1.16 Allowed 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.549 1.068 . . . . 0.0 109.766 165.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -42.08 -53.84 3.8 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.662 1.985 . . . . 0.0 112.085 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.58 -42.72 93.13 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.04 -1.038 . . . . 0.0 111.08 -175.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -70.87 -42.27 70.3 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.612 -1.661 . . . . 0.0 110.22 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.01 -42.59 76.67 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.791 1.632 . . . . 0.0 109.987 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -59.14 -55.71 31.47 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -61.32 -21.01 63.6 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 117.671 -1.157 . . . . 0.0 113.212 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -75.75 -46.53 30.38 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 126.582 1.953 . . . . 0.0 109.39 -177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.89 -54.28 48.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.048 0.939 . . . . 0.0 108.488 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.59 -33.77 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-O 121.075 0.464 . . . . 0.0 109.831 -176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.64 -50.97 63.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 120.762 -1.211 . . . . 0.0 110.274 171.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -61.08 -42.47 98.56 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 119.462 1.028 . . . . 0.0 110.093 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -68.01 -45.85 72.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 117.843 0.292 . . . . 0.0 110.625 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -59.38 -34.12 72.03 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.778 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -55.63 31.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.238 1.015 . . . . 0.0 109.494 171.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.34 -38.37 58.46 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.204 1.001 . . . . 0.0 110.7 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -71.83 -48.4 46.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.171 0.988 . . . . 0.0 109.968 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.09 62.96 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.702 1.201 . . . . 0.0 112.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.19 -13.67 62.18 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.205 1.366 . . . . 0.0 110.378 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.63 2.58 18.93 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.054 -0.974 . . . . 0.0 112.214 169.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.2 t -134.48 119.62 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.74 -0.73 0.03 OUTLIER Glycine 0 CA--C 1.54 1.605 0 C-N-CA 126.41 1.957 . . . . 0.0 116.133 167.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -73.67 78.55 1.52 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.969 2.108 . . . . 0.0 107.231 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.98 -15.82 29.98 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.994 1.283 . . . . 0.0 114.49 -167.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -48.74 -47.15 41.68 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 118.891 1.345 . . . . 0.0 109.726 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -77.8 -43.84 29.34 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.68 -44.63 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.839 0.856 . . . . 0.0 109.258 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.3 t -64.19 -59.55 4.29 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.506 1.122 . . . . 0.0 110.757 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -39.16 71.93 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 121.275 -0.891 . . . . 0.0 110.244 -176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 m -54.08 -64.57 0.79 Allowed 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.464 1.506 . . . . 0.0 110.414 170.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -53.44 -35.2 60.21 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.478 1.036 . . . . 0.0 112.758 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.44 -62.32 1.44 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -64.98 -27.64 68.97 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 118.922 -1.111 . . . . 0.0 111.129 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -59.67 -57.27 13.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.031 1.333 . . . . 0.0 110.017 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.15 99.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.363 0.529 . . . . 0.0 111.7 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.05 -54.82 29.73 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.545 1.138 . . . . 0.0 109.993 175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -51.07 71.16 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 116.228 -1.844 . . . . 0.0 109.406 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -47.56 71.08 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.736 1.153 . . . . 0.0 111.627 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.94 -57.6 12.42 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 108.69 -1.764 . . . . 0.0 108.69 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.49 87.87 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.9 -1.524 . . . . 0.0 111.116 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.0 p -62.82 -51.89 65.3 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 121.319 1.872 . . . . 0.0 109.778 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -63.38 -45.21 92.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 118.886 0.766 . . . . 0.0 110.576 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.35 -39.34 90.25 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.199 0.454 . . . . 0.0 110.821 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -72.17 -45.21 61.32 Favored 'General case' 0 C--O 1.225 -0.204 0 O-C-N 120.65 -1.281 . . . . 0.0 111.057 -178.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.47 -42.29 83.31 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -59.67 -48.21 82.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.831 0.852 . . . . 0.0 110.368 172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.4 m -57.52 -54.05 51.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.709 1.204 . . . . 0.0 109.664 -178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -50.22 -57.45 2.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 127.192 2.197 . . . . 0.0 107.706 172.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -45.56 78.84 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 120.273 1.397 . . . . 0.0 111.245 -171.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -59.87 -59.34 5.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.4 0.545 . . . . 0.0 110.598 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -54.66 -39.45 68.06 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.042 1.337 . . . . 0.0 109.495 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 18' ' ' VAL . 27.0 tp -63.89 -47.46 80.56 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 127.829 2.451 . . . . 0.0 112.098 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.99 -43.1 81.39 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.764 1.166 . . . . 0.0 109.373 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -64.61 0.85 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.682 0.613 . . . . 0.0 110.831 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -54.51 -50.46 67.77 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.965 1.306 . . . . 0.0 110.212 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 t -64.4 -20.07 65.91 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.152 -0.967 . . . . 0.0 110.996 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -83.5 -27.46 39.19 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.635 1.588 . . . . 0.0 114.666 167.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -82.2 -51.73 7.66 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 121.047 2.424 . . . . 0.0 108.685 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.2 mm -51.75 -49.51 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 126.226 1.81 . . . . 0.0 112.547 -168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -76.95 -29.91 55.81 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.907 -1.121 . . . . 0.0 111.527 -172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -59.47 -53.24 60.44 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.62 0.768 . . . . 0.0 109.15 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' ' 118' ' ' LEU . . . 29.2 68.67 0.08 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.435 2.294 . . . . 0.0 111.99 -174.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -74.62 165.25 25.53 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.232 -0.918 . . . . 0.0 109.442 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -80.63 71.32 7.5 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 165.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -173.24 10.91 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.218 1.007 . . . . 0.0 112.729 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.32 23.7 tt0 60.89 30.45 19.65 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 123.258 1.504 . . . . 0.0 112.479 179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.7 mp . . . . . 0 C--O 1.244 0.768 0 C-N-CA 128.82 2.848 . . . . 0.0 111.798 144.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG13 ' H ' ' A' ' 3' ' ' SER . 1.5 p -159.85 -84.51 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 N-CA-C 103.095 -2.928 . . . . 0.0 103.095 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.502 ' H ' HG13 ' A' ' 2' ' ' VAL . 32.2 t -150.6 148.13 28.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 160.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -106.77 0.87 24.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.452 1.101 . . . . 0.0 111.08 172.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -50.36 9.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.403 0.681 . . . . 0.0 111.14 -173.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.58 26.85 73.61 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.912 -0.938 . . . . 0.0 112.137 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.69 107.13 1.49 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.856 1.328 . . . . 0.0 109.117 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -153.68 -179.3 7.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.738 0.78 . . . . 0.0 109.595 155.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -73.71 11.56 0.82 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.63 2.772 . . . . 0.0 112.103 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -137.97 34.09 2.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.558 0.743 . . . . 0.0 112.746 -169.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 91.8 165.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 1 C-N-CA 131.844 4.058 . . . . 0.0 109.153 -172.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -123.4 15.63 9.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.721 1.608 . . . . 0.0 109.238 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.08 65.21 0.82 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.822 1.649 . . . . 0.0 108.097 -165.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.36 -95.84 0.08 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 170.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -126.82 79.24 72.51 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 165.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -73.62 -73.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.661 2.241 . . . . 0.0 111.928 -172.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -149.53 -39.81 0.15 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.33 1.452 . . . . 0.0 111.453 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -49.32 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.757 1.223 . . . . 0.0 111.28 173.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 103' ' ' LEU . 27.7 mm -62.37 -33.45 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -66.21 -44.37 84.08 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.593 1.157 . . . . 0.0 109.613 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.22 -46.94 69.3 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.124 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.764 ' CH2' HD23 ' A' ' 103' ' ' LEU . 24.7 m0 -64.38 -32.0 73.43 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.642 0.656 . . . . 0.0 112.645 176.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -54.1 -57.7 10.1 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 124.001 0.92 . . . . 0.0 108.657 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.64 -19.73 58.99 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 117.775 -1.57 . . . . 0.0 109.436 -174.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.25 -16.5 5.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.609 172.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -57.05 -20.32 24.01 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.283 1.433 . . . . 0.0 112.505 169.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -157.29 29.48 0.29 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.192 -1.568 . . . . 0.0 111.865 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -71.97 0.16 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.159 -0.963 . . . . 0.0 111.023 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 173.98 49.12 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.246 2.618 . . . . 0.0 109.126 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mp -92.81 -129.36 0.11 Allowed 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.543 -1.348 . . . . 0.0 107.434 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.8 p -147.34 164.69 32.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 109.183 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -63.42 -36.51 83.96 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 120.286 1.403 . . . . 0.0 112.646 -174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -63.14 -56.9 12.86 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 124.641 1.177 . . . . 0.0 107.983 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -51.78 -45.43 63.8 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.21 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -27.16 68.3 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.779 1.172 . . . . 0.0 111.522 -174.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.42 -44.7 50.71 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 119.95 -1.719 . . . . 0.0 110.631 170.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.07 75.46 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -38.85 92.6 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.948 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -62.2 -45.86 91.47 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 121.577 1.989 . . . . 0.0 108.974 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -63.78 -47.28 81.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.665 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -64.52 -42.54 95.71 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.37 -42.61 96.19 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.5 1.12 . . . . 0.0 110.086 175.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -61.76 -43.21 99.3 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.551 1.068 . . . . 0.0 110.712 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -65.69 -37.23 85.88 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.61 -0.681 . . . . 0.0 110.104 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -67.36 -56.91 7.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.091 1.356 . . . . 0.0 111.601 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -54.64 -43.6 72.44 Favored 'General case' 0 CA--C 1.523 -0.083 0 C-N-CA 125.138 1.375 . . . . 0.0 107.676 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.36 -48.95 79.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.236 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -46.67 70.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.348 178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.6 tp -72.93 -37.2 53.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.904 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.17 -34.08 65.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.665 1.575 . . . . 0.0 110.855 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -79.72 -41.62 26.34 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.256 -1.528 . . . . 0.0 112.145 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 92' ' ' THR . 17.3 t-80 -50.77 -61.51 2.16 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.713 168.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -42.41 -49.39 5.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 128.501 2.72 . . . . 0.0 110.317 170.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -48.74 67.6 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 118.569 0.622 . . . . 0.0 110.889 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -67.09 -47.35 71.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.598 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.97 -36.43 65.34 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 121.261 1.846 . . . . 0.0 110.248 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -72.18 -51.27 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.012 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -58.67 -21.08 53.38 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.354 -1.307 . . . . 0.0 112.649 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -82.65 -45.16 14.87 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 127.554 2.342 . . . . 0.0 110.223 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.7 -50.11 75.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.464 0.65 . . . . 0.0 109.394 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.16 -37.64 80.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.82 0.848 . . . . 0.0 109.813 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.5 -45.58 88.44 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 117.718 -1.134 . . . . 0.0 109.701 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -69.4 -35.06 75.4 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.218 1.007 . . . . 0.0 110.018 -173.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -50.07 -67.3 0.27 Allowed 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 164.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -66.88 -21.75 66.0 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 118.786 -1.166 . . . . 0.0 113.884 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -60.53 3.23 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 126.211 1.804 . . . . 0.0 108.914 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -65.07 -32.08 73.61 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.703 -0.623 . . . . 0.0 109.932 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.31 -45.13 94.61 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.656 171.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.58 -36.48 82.84 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 119.706 1.139 . . . . 0.0 111.834 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.59 -0.98 14.35 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.134 -0.979 . . . . 0.0 110.031 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -102.63 -9.21 20.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.186 1.394 . . . . 0.0 112.837 164.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.548 HG23 ' H ' ' A' ' 74' ' ' ASP . 14.0 m -90.28 -22.35 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 120.312 1.414 . . . . 0.0 112.046 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.38 -17.17 6.67 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.282 -1.288 . . . . 0.0 114.695 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.2 t0 -65.15 106.06 1.22 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.802 1.801 . . . . 0.0 110.692 172.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.52 -26.6 62.37 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.9 -1.5 . . . . 0.0 113.208 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.51 -67.67 0.36 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.556 1.678 . . . . 0.0 108.482 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.544 ' HE ' ' HB2' ' A' ' 69' ' ' ALA . 15.8 ptm180 -66.07 -25.21 66.93 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 117.824 -1.084 . . . . 0.0 112.142 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -59.95 -59.15 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 120.17 1.35 . . . . 0.0 108.45 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.48 -42.43 87.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.997 0.519 . . . . 0.0 111.91 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -64.75 -38.75 92.05 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.471 -0.768 . . . . 0.0 111.061 -177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.9 m -60.6 -48.91 79.68 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 171.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -60.2 -33.99 73.0 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 120.622 -1.299 . . . . 0.0 113.132 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.34 -53.34 50.17 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -63.28 -31.54 72.72 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.027 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -58.31 -60.83 3.15 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 118.398 -0.811 . . . . 0.0 109.061 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.79 78.63 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.316 0.646 . . . . 0.0 112.15 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -58.96 5.5 Favored 'General case' 0 C--O 1.246 0.909 0 C-N-CA 124.156 0.982 . . . . 0.0 110.341 171.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 74.5 mt -58.48 -51.15 71.06 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.812 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.03 -47.68 61.64 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 128.137 2.575 . . . . 0.0 112.058 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.93 -48.79 84.5 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -40.43 96.44 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.157 175.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 52' ' ' HIS . 27.1 p -67.27 -39.83 86.1 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 120.553 1.524 . . . . 0.0 110.646 -174.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -62.71 -45.72 91.43 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.333 -0.854 . . . . 0.0 111.155 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.87 -48.5 74.05 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.602 1.161 . . . . 0.0 111.797 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -66.3 -40.49 90.03 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-O 117.79 -1.1 . . . . 0.0 108.618 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.98 -51.28 35.38 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.921 1.248 . . . . 0.0 112.236 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -55.53 -49.36 72.83 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.666 1.186 . . . . 0.0 110.697 174.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.1 m -58.77 -58.01 10.48 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.76 0.824 . . . . 0.0 109.345 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.5 t -57.63 -41.09 78.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.39 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -53.02 -55.73 21.46 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 121.805 2.093 . . . . 0.0 110.576 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -61.8 -52.48 64.02 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.322 0.582 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -60.09 -40.79 90.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.25 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.764 HD23 ' CH2' ' A' ' 22' ' ' TRP . 32.5 mt -60.91 -49.18 78.51 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.037 1.335 . . . . 0.0 110.31 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -38.83 70.74 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.262 0.225 . . . . 0.0 110.468 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.73 -47.27 19.48 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.57 -34.72 78.91 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.73 0.695 . . . . 0.0 110.214 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.2 t -56.86 -48.15 78.76 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 120.705 -1.247 . . . . 0.0 108.781 167.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.13 66.11 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 117.585 -1.675 . . . . 0.0 114.128 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.484 ' C ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -75.47 -74.92 0.19 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.26 1.824 . . . . 0.0 108.029 172.026 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 mm -53.78 -31.01 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.779 1.632 . . . . 0.0 110.851 -163.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -50.75 65.74 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.157 0.435 . . . . 0.0 112.148 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -67.89 -43.36 79.5 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 112.483 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.96 74.36 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.154 0.982 . . . . 0.0 110.831 -169.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -64.99 167.02 8.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.526 0.731 . . . . 0.0 109.63 173.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -94.7 -10.34 32.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.075 0.464 . . . . 0.0 111.251 172.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -82.56 173.4 12.0 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 151.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.251 0.0 OUTLIER -58.82 155.13 13.57 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.482 0.658 . . . . 0.0 109.802 155.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 109' ' ' ARG . 6.9 mp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 115.072 -2.394 . . . . 0.0 115.017 -147.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.39 40.86 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 CA-C-N 121.1 1.773 . . . . 0.0 113.293 -160.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -149.84 71.97 1.11 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -151.17 72.39 1.05 Allowed 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 45.71 -93.06 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 128.543 2.737 . . . . 0.0 111.337 -171.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.6 40.3 97.46 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.951 -0.916 . . . . 0.0 114.143 173.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 53.65 69.09 0.75 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.806 1.643 . . . . 0.0 111.097 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.35 101.17 0.29 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.461 1.504 . . . . 0.0 110.945 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 11' ' ' ALA . 8.9 t -58.92 -29.41 67.06 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.039 169.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 73.65 33.76 1.01 Allowed 'General case' 0 C--N 1.341 0.227 0 C-N-CA 128.171 2.589 . . . . 0.0 108.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' H ' HG23 ' A' ' 9' ' ' THR . . . -132.74 -164.28 1.45 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.598 1.559 . . . . 0.0 108.689 167.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.7 1.0 0.26 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 127.292 2.237 . . . . 0.0 115.244 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 44.25 40.41 3.62 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.048 2.139 . . . . 0.0 112.338 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.39 -61.75 2.37 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.388 1.075 . . . . 0.0 112.098 -167.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.54 59.21 3.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 123.689 0.796 . . . . 0.0 111.564 164.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.27 173.32 13.92 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 N-CA-C 109.168 -1.128 . . . . 0.0 109.168 161.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -55.85 -8.87 0.47 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 m -54.24 -44.76 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 121.829 2.104 . . . . 0.0 110.791 170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.9 mm -69.48 -34.99 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -66.72 -46.89 74.04 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.263 1.025 . . . . 0.0 109.544 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.37 -50.51 12.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.24 2.216 . . . . 0.0 108.947 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.55 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 41.6 m0 -70.36 -33.07 71.01 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -41.6 83.8 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.54 0.686 . . . . 0.0 110.233 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -32.34 23.76 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.018 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.19 -41.75 8.52 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.855 1.262 . . . . 0.0 111.69 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -38.99 -34.19 0.15 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.881 2.472 . . . . 0.0 113.972 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 m -138.38 27.45 2.55 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.594 -1.316 . . . . 0.0 112.056 170.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.57 63.69 7.51 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.013 -1.679 . . . . 0.0 109.923 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 53.45 61.17 3.26 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.691 2.397 . . . . 0.0 113.188 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.92 -164.01 1.01 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.233 1.813 . . . . 0.0 110.027 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.6 p -118.98 156.87 28.83 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 165.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -68.6 -26.3 65.3 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.936 -0.477 . . . . 0.0 112.047 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -76.24 -51.71 11.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.996 0.918 . . . . 0.0 111.504 173.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -60.37 -37.62 81.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.09 -59.09 5.11 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 126.175 1.79 . . . . 0.0 110.365 167.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -53.11 -38.4 62.58 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.409 1.459 . . . . 0.0 112.612 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.47 65.88 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.464 1.106 . . . . 0.0 110.961 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -41.33 66.2 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 123.629 0.771 . . . . 0.0 109.769 170.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.3 68.07 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.172 -0.955 . . . . 0.0 108.609 -168.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -62.96 -46.52 87.36 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.557 0.536 . . . . 0.0 111.1 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.2 -39.55 92.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 118.486 0.585 . . . . 0.0 109.796 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.37 -34.52 76.2 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 120.896 -1.127 . . . . 0.0 111.545 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -61.53 -45.31 94.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.351 0.978 . . . . 0.0 109.938 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.17 -47.26 83.96 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.92 -0.488 . . . . 0.0 110.78 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' HG13 ' A' ' 99' ' ' VAL . 13.8 t80 -63.02 -54.15 42.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -36.56 77.69 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.154 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.58 -53.4 56.79 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.958 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -45.54 -59.87 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.872 0.869 . . . . 0.0 109.379 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.437 HD13 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -65.38 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-O 117.142 -1.408 . . . . 0.0 110.22 -175.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -56.25 -34.91 66.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 121.893 2.133 . . . . 0.0 111.86 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -80.18 -38.52 31.12 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.045 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -50.1 -57.2 8.16 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 166.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.27 -51.98 17.41 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.428 2.291 . . . . 0.0 111.441 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.75 -40.36 87.87 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 121.745 -0.597 . . . . 0.0 109.76 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -70.83 -39.7 72.86 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 116.613 -1.66 . . . . 0.0 112.781 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.69 -38.1 71.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 121.304 1.866 . . . . 0.0 109.781 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -63.94 -51.98 61.9 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -62.24 -27.49 69.04 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.1 -45.79 59.27 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 126.392 1.877 . . . . 0.0 108.913 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -59.75 -49.1 79.04 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.013 0.37 . . . . 0.0 110.593 172.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.86 -38.56 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.669 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -58.76 -44.87 90.72 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.356 171.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -49.35 77.59 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.79 1.236 . . . . 0.0 110.318 -176.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -55.38 -58.3 8.29 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.185 0.994 . . . . 0.0 109.124 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.96 -35.66 69.39 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 123.68 0.792 . . . . 0.0 111.285 -177.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.5 -58.79 3.53 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 117.216 -1.373 . . . . 0.0 108.777 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -48.86 -43.36 38.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.5 1.046 . . . . 0.0 109.383 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -68.49 -37.49 80.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.342 -173.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' VAL . . . -82.96 -26.73 31.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.34 1.056 . . . . 0.0 113.347 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.91 -35.65 81.21 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 t -69.74 9.19 0.55 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 117.026 -1.464 . . . . 0.0 114.881 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 69' ' ' ALA . 1.4 p -111.32 -36.97 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 121.142 1.792 . . . . 0.0 110.992 166.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.21 67.65 1.4 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -172.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -92.81 -105.57 0.12 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 156.64 -54.19 0.4 Allowed Glycine 0 CA--C 1.523 0.572 0 O-C-N 120.499 -1.376 . . . . 0.0 109.76 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.62 -58.29 6.73 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 117.675 0.737 . . . . 0.0 109.484 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -59.7 -32.45 70.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.538 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.05 -59.22 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 m -55.96 -56.89 15.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.259 1.424 . . . . 0.0 110.401 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -52.59 -43.11 65.1 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 126.039 1.735 . . . . 0.0 111.328 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -57.52 -59.96 4.38 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 116.429 -1.748 . . . . 0.0 110.336 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -52.55 -37.21 57.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 121.244 1.838 . . . . 0.0 112.85 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.55 -56.89 15.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.611 1.964 . . . . 0.0 108.987 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -21.31 61.79 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.414 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.669 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 13.4 m80 -67.37 -55.41 13.9 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.065 174.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.62 -43.84 65.66 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.362 1.065 . . . . 0.0 110.738 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -56.09 21.23 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 119.738 -0.173 . . . . 0.0 110.926 171.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.37 -35.42 77.43 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.334 0.516 . . . . 0.0 112.209 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.85 -38.49 91.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 130.45 3.5 . . . . 0.0 111.57 173.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.72 -47.09 89.73 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.13 76.36 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 116.648 -1.644 . . . . 0.0 110.774 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 p -60.28 -56.25 23.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 120.708 1.594 . . . . 0.0 108.992 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -60.71 -42.57 97.5 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.618 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.58 -49.65 76.7 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.622 0.769 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -76.74 -38.89 53.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.631 -0.828 . . . . 0.0 109.365 -172.016 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.65 -44.43 54.32 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -60.9 -48.58 81.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.401 1.101 . . . . 0.0 110.428 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.2 m -58.86 -46.01 88.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.742 0.817 . . . . 0.0 109.614 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' HZ ' ' A' ' 45' ' ' PHE . 5.4 t -58.77 -49.16 83.77 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 125.075 1.35 . . . . 0.0 108.738 173.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -58.45 -44.0 89.03 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.639 1.563 . . . . 0.0 112.929 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -66.11 -53.35 38.99 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 120.82 -1.175 . . . . 0.0 110.252 176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -53.58 -44.16 69.12 Favored 'General case' 0 C--O 1.223 -0.314 0 O-C-N 122.026 -0.421 . . . . 0.0 110.092 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 10.5 mt -53.36 -55.53 24.14 Favored 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 125.619 1.567 . . . . 0.0 111.246 175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -60.17 -30.18 69.17 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.21 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -56.24 9.23 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 118.945 0.793 . . . . 0.0 111.937 176.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 74.0 mt -58.07 -62.36 1.88 Allowed 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 128.614 2.766 . . . . 0.0 109.603 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.8 t -55.87 -38.97 70.84 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.695 1.198 . . . . 0.0 108.896 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.06 -56.93 7.35 Favored Glycine 0 C--N 1.338 0.693 0 C-N-CA 124.006 0.813 . . . . 0.0 112.561 172.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -57.1 3.94 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.596 1.558 . . . . 0.0 109.016 -172.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 mt -57.91 -21.31 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 120.366 1.439 . . . . 0.0 111.564 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.9 m -59.32 -8.5 1.73 Allowed 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.618 1.554 . . . . 0.0 114.117 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -102.48 -33.02 9.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.419 1.463 . . . . 0.0 114.206 162.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 56.44 -38.12 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 129.241 3.017 . . . . 0.0 115.345 -168.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.95 -163.7 0.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.291 1.837 . . . . 0.0 110.139 168.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -140.47 32.11 1.88 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.223 1.409 . . . . 0.0 108.098 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -154.75 170.27 22.0 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 126.816 2.046 . . . . 0.0 106.612 171.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.95 157.56 34.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.925 0.784 . . . . 0.0 110.892 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.161 -166.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.591 ' HG3' HG12 ' A' ' 2' ' ' VAL . 3.7 tpt180 . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG12 ' HG3' ' A' ' 1' ' ' ARG . 9.2 p -48.23 156.14 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.538 1.535 . . . . 0.0 110.513 165.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -136.9 134.63 37.03 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -163.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 157.76 43.52 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.792 1.637 . . . . 0.0 107.33 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -29.51 65.21 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.31 174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.32 91.87 0.08 OUTLIER Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 43.44 36.51 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 127.406 2.282 . . . . 0.0 114.986 167.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 m 57.28 157.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.898 2.079 . . . . 0.0 114.181 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -65.86 -45.83 80.67 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 120.399 -1.438 . . . . 0.0 108.038 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.25 132.94 0.65 Allowed 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 127.703 2.401 . . . . 0.0 105.448 -174.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' H ' ' A' ' 13' ' ' PHE . . . -160.51 158.94 30.11 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.517 1.127 . . . . 0.0 109.41 171.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.89 8.34 44.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.649 0.78 . . . . 0.0 110.452 153.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' H ' ' HB1' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -132.95 155.89 48.28 Favored 'General case' 0 CA--C 1.519 -0.223 0 O-C-N 120.65 -1.281 . . . . 0.0 110.531 -167.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 35.66 46.79 0.33 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.322 2.649 . . . . 0.0 112.754 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -163.08 -64.22 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.679 1.592 . . . . 0.0 107.898 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.28 169.86 14.53 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.044 1.829 . . . . 0.0 111.545 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -52.63 1.36 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 128.875 2.87 . . . . 0.0 116.504 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.56 ' HB ' HD21 ' A' ' 103' ' ' LEU . 22.7 m -67.77 -50.66 58.14 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 CA-C-N 121.282 1.855 . . . . 0.0 111.143 -171.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.6 mm -57.82 -38.67 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.136 1.374 . . . . 0.0 108.785 172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 24' ' ' LEU . 6.3 t70 -64.26 -44.82 90.58 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.803 1.641 . . . . 0.0 110.636 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -52.18 59.78 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.71 2.004 . . . . 0.0 109.278 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -68.59 -22.75 64.43 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.4 -58.81 6.93 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -79.31 -15.92 57.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.599 -175.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . . . -47.66 -29.66 3.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.85 -1.071 . . . . 0.0 112.213 171.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -47.12 -31.27 3.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.657 1.183 . . . . 0.0 114.158 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.9 m -147.83 43.52 1.07 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.474 1.11 . . . . 0.0 108.428 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . . . -68.64 -78.62 0.06 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -162.03 16.98 0.09 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 120.427 1.467 . . . . 0.0 112.763 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.26 -172.63 4.15 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.563 0.745 . . . . 0.0 110.165 -160.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 19.3 p -87.26 154.65 20.53 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 119.478 -0.889 . . . . 0.0 108.759 175.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.31 18.45 0.07 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.589 1.956 . . . . 0.0 112.31 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' THR . 21.2 tptt -133.39 -53.93 0.9 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.597 2.359 . . . . 0.0 108.626 -175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.03 -36.68 70.76 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.557 1.161 . . . . 0.0 108.456 172.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.82 -60.29 3.67 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 126.654 1.982 . . . . 0.0 109.857 169.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -58.62 -36.37 73.95 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.81 1.641 . . . . 0.0 112.035 -174.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.13 71.75 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 122.844 0.458 . . . . 0.0 110.906 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.47 71.87 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.19 68.48 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -170.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.59 -40.6 92.87 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.158 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -38.12 89.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.809 0.731 . . . . 0.0 111.282 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.85 -37.17 70.3 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.44 -0.787 . . . . 0.0 110.748 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -39.54 93.75 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.194 0.452 . . . . 0.0 110.015 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.37 -49.53 75.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 110.126 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -58.91 -56.91 16.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.263 1.425 . . . . 0.0 111.476 -176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.64 -41.39 90.42 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.898 1.679 . . . . 0.0 108.92 -177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.76 79.45 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 122.204 1.002 . . . . 0.0 110.209 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' N ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -56.7 -52.09 66.28 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.293 1.037 . . . . 0.0 110.667 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.494 HD12 HG21 ' A' ' 99' ' ' VAL . 13.1 tt -75.25 -25.3 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.846 -173.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.73 -40.02 94.62 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 110.457 169.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.54 -36.98 65.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.053 0.842 . . . . 0.0 112.002 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.55 -57.17 9.84 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.33 164.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -50.45 -38.42 43.41 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.46 1.904 . . . . 0.0 110.471 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -59.35 -56.14 25.84 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.636 -1.29 . . . . 0.0 110.262 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -63.33 -51.7 64.92 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.113 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.64 75.22 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.737 1.153 . . . . 0.0 110.656 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -66.12 -43.8 86.1 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 117.116 -1.834 . . . . 0.0 110.146 173.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -66.38 -16.8 64.36 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 117.754 -1.117 . . . . 0.0 113.188 174.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.4 -47.29 23.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 120.246 1.384 . . . . 0.0 109.774 174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.46 -48.1 75.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.28 -41.46 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -55.69 -43.46 76.45 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 117.226 -1.369 . . . . 0.0 110.313 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -70.34 -37.69 74.71 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.117 1.367 . . . . 0.0 110.798 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.97 -62.9 1.46 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 122.078 0.942 . . . . 0.0 109.036 174.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -21.52 66.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.334 -177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.35 -62.43 1.47 Allowed 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 120.314 1.415 . . . . 0.0 107.708 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -58.48 -32.81 69.12 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 119.562 1.074 . . . . 0.0 110.245 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.17 -37.89 66.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.595 -1.242 . . . . 0.0 111.819 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -83.27 -3.41 57.42 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.834 1.654 . . . . 0.0 114.765 177.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -75.58 -48.2 23.34 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 155.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 m -67.24 8.49 0.3 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.281 1.432 . . . . 0.0 114.463 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 69' ' ' ALA . 34.3 m -95.77 -20.31 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.915 1.234 . . . . 0.0 111.579 168.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 89.09 0.42 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -165.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -151.09 175.49 12.07 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.14 -54.66 0.08 OUTLIER Glycine 0 CA--C 1.524 0.613 0 C-N-CA 125.214 1.388 . . . . 0.0 110.325 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.45 -50.48 71.57 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.612 1.206 . . . . 0.0 109.93 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -68.38 -28.65 67.3 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.735 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.07 -54.78 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 124.136 0.974 . . . . 0.0 108.519 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.0 m -54.92 -57.68 10.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.505 1.122 . . . . 0.0 110.648 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.06 -35.07 72.72 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.788 0.722 . . . . 0.0 110.908 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 m -59.28 -66.14 0.56 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 116.797 -1.573 . . . . 0.0 109.883 168.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -53.0 -35.5 59.45 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 121.666 2.03 . . . . 0.0 112.931 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.87 -53.45 58.24 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 127.271 2.228 . . . . 0.0 109.655 175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -67.43 -29.98 69.61 Favored 'General case' 0 C--N 1.338 0.086 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.504 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 26.3 m80 -64.87 -51.05 64.1 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.163 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.51 -43.61 79.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.16 0.984 . . . . 0.0 110.705 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.37 -58.62 6.13 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.578 1.551 . . . . 0.0 110.815 170.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -45.61 86.33 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 124.305 1.042 . . . . 0.0 110.825 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.48 -35.46 81.01 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 125.968 1.707 . . . . 0.0 112.443 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.41 -50.19 66.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 170.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -41.21 98.76 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.508 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.9 p -62.17 -47.85 82.69 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 120.794 1.634 . . . . 0.0 110.23 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -59.26 -56.05 27.12 Favored 'General case' 0 CA--C 1.515 -0.379 0 O-C-N 123.81 0.694 . . . . 0.0 110.868 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.18 -42.49 99.33 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 118.536 0.607 . . . . 0.0 110.914 -171.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.67 -42.7 81.72 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.546 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.35 -46.04 87.67 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 119.284 0.947 . . . . 0.0 111.905 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -54.95 -51.04 67.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.584 1.154 . . . . 0.0 110.133 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -59.5 -50.57 73.38 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.908 0.883 . . . . 0.0 109.555 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 49' ' ' ILE . 8.9 t -53.47 -47.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 126.754 2.022 . . . . 0.0 109.427 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -59.62 -51.12 71.17 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.486 1.039 . . . . 0.0 111.66 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -62.88 -50.97 68.8 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 121.368 -0.832 . . . . 0.0 110.99 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -60.47 -35.65 76.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 117.753 -1.118 . . . . 0.0 109.708 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' HB ' ' A' ' 18' ' ' VAL . 2.1 mt -53.95 -51.2 64.58 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 120.924 1.693 . . . . 0.0 111.558 170.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -62.36 -36.3 81.84 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.86 -57.83 5.61 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.241 0.617 . . . . 0.0 109.402 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.2 mt -51.94 -58.18 7.26 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 127.834 2.454 . . . . 0.0 110.81 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 m -68.67 -33.93 74.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 120.987 -1.071 . . . . 0.0 111.26 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -53.84 -33.75 50.17 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 120.026 1.285 . . . . 0.0 112.588 169.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' HB3' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -79.74 -67.51 0.75 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 128.956 2.902 . . . . 0.0 110.203 177.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.7 mt -67.61 -30.24 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.8 1.24 . . . . 0.0 111.065 -166.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.1 m -61.73 -17.68 56.75 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.706 -1.246 . . . . 0.0 112.155 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -97.69 -58.75 1.92 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 124.734 1.214 . . . . 0.0 109.087 165.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.52 77.54 0.06 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.716 2.407 . . . . 0.0 111.966 -169.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -63.18 -74.28 0.1 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.308 -0.853 . . . . 0.0 112.954 -174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 m170 153.45 173.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.482 1 C-N-CA 133.196 4.598 . . . . 0.0 105.884 -171.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 t30 55.3 41.36 31.33 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.093 1.757 . . . . 0.0 112.428 168.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 57.46 168.54 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 C-N-CA 128.02 2.528 . . . . 0.0 112.183 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 109' ' ' ARG . 3.4 mp . . . . . 0 C--O 1.248 0.975 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 -163.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -59.23 176.14 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 120.044 1.293 . . . . 0.0 110.17 155.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -90.77 -145.13 0.18 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 120.879 -1.138 . . . . 0.0 108.624 176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -152.22 143.67 23.4 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.975 1.71 . . . . 0.0 108.86 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.5 129.22 39.12 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 179.43 19.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.459 -1.189 . . . . 0.0 114.418 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -126.47 -56.95 1.39 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.964 1.382 . . . . 0.0 109.862 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -71.53 140.8 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.015 0.526 . . . . 0.0 109.923 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.8 t -70.06 13.18 0.17 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.128 1.771 . . . . 0.0 113.201 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -157.47 165.85 34.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.373 1.869 . . . . 0.0 108.008 -167.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.89 152.74 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.14 6.54 4.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.351 1.46 . . . . 0.0 107.687 172.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 64.41 -177.42 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 128.227 2.611 . . . . 0.0 110.023 -171.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.66 84.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 127.358 2.263 . . . . 0.0 113.14 -170.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 153.5 -44.83 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 130.265 3.426 . . . . 0.0 111.36 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 18' ' ' VAL . 20.6 Cg_endo -60.03 163.56 13.92 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 CA-C-N 121.327 1.51 . . . . 0.0 111.781 168.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.31 14.7 0.08 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.805 2.442 . . . . 0.0 114.035 -171.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 16' ' ' PRO 0.28 2.4 t -82.07 -49.99 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 129.883 3.273 . . . . 0.0 108.799 -174.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.08 -37.08 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 168.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.696 ' O ' HD22 ' A' ' 24' ' ' LEU . 8.9 m-20 -67.65 -38.64 84.1 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 121.642 -0.661 . . . . 0.0 109.905 173.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -50.24 47.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 119.84 1.2 . . . . 0.0 110.454 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' HZ2' HD22 ' A' ' 103' ' ' LEU . 1.7 m95 -69.87 -27.89 65.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.95 -1.024 . . . . 0.0 112.307 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -53.2 -55.16 26.55 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 120.076 1.307 . . . . 0.0 111.309 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.82 -29.84 63.56 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.084 -177.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -8.43 6.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 118.995 0.816 . . . . 0.0 112.928 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' HA ' HD21 ' A' ' 35' ' ' LEU . 7.5 tt0 -72.09 -4.46 29.05 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.603 1.092 . . . . 0.0 112.773 166.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -161.47 1.57 0.06 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 48.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.65 0 O-C-N 119.601 -1.937 . . . . 0.0 113.663 -169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 59.1 69.68 0.7 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.92 1.688 . . . . 0.0 110.016 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.57 -142.99 0.38 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.5 p -144.8 158.23 43.87 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.923 1.238 . . . . 0.0 111.017 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -70.78 -30.21 66.63 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -156.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -77.23 -47.76 19.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.292 0.637 . . . . 0.0 110.945 172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -37.16 43.96 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.426 1.09 . . . . 0.0 108.696 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -69.73 -32.18 70.59 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 126.34 1.856 . . . . 0.0 112.437 179.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.1 -43.25 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 120.6 1.545 . . . . 0.0 109.564 173.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.28 75.6 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.29 0.566 . . . . 0.0 109.836 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.02 87.56 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 117.352 -1.308 . . . . 0.0 108.222 174.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ttt-85 -61.35 -50.35 73.27 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 120.235 1.379 . . . . 0.0 108.374 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -65.78 -44.99 84.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.2 -1.0 . . . . 0.0 111.518 -175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.81 -43.59 92.65 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.045 0.839 . . . . 0.0 109.608 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.28 -31.29 72.01 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.525 -0.75 . . . . 0.0 111.554 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -70.76 -39.38 73.28 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.347 0.976 . . . . 0.0 108.894 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -61.03 -40.79 94.92 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 119.561 -1.962 . . . . 0.0 110.603 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -61.7 -56.98 13.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.039 1.336 . . . . 0.0 112.299 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.23 -44.08 92.33 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.949 0.899 . . . . 0.0 108.845 -176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.38 -49.44 74.44 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.656 0.662 . . . . 0.0 110.658 175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.47 -47.89 72.42 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.404 -0.81 . . . . 0.0 111.919 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.445 HD12 HG21 ' A' ' 99' ' ' VAL . 11.3 tt -81.16 -27.08 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.422 -171.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -55.13 -42.92 73.63 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 118.889 0.768 . . . . 0.0 109.195 162.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -75.4 -32.57 60.79 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.306 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.95 -57.36 8.75 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 119.885 1.221 . . . . 0.0 109.451 160.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.05 -47.77 68.16 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.035 1.334 . . . . 0.0 109.935 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.29 -49.62 75.52 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.199 0.908 . . . . 0.0 109.12 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.39 -55.52 27.16 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.848 -1.072 . . . . 0.0 110.993 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -30.86 71.89 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 120.367 1.439 . . . . 0.0 111.444 -174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -64.05 -50.16 69.5 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -59.95 -33.76 72.36 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 117.22 -1.372 . . . . 0.0 111.25 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.18 -49.03 73.66 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 120.031 1.287 . . . . 0.0 109.558 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -60.01 -50.72 72.63 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.365 1.066 . . . . 0.0 109.653 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.1 mt -62.1 -47.95 90.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.34 73.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 116.722 -1.608 . . . . 0.0 111.487 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -73.68 -41.2 62.99 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.645 1.178 . . . . 0.0 109.304 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -57.5 12.72 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.758 -0.589 . . . . 0.0 109.997 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -23.5 66.19 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.03 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.84 -59.89 4.66 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 116.822 -1.561 . . . . 0.0 108.679 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.7 mtm105 -61.47 -30.41 70.58 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.449 1.931 . . . . 0.0 110.932 -177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -63.62 -36.59 84.31 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.244 0.929 . . . . 0.0 112.3 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.15 -28.9 20.94 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 112.511 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.31 -29.6 70.68 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.79 -1.819 . . . . 0.0 109.762 165.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m -72.74 8.99 1.23 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.59 -17.66 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.958 1.254 . . . . 0.0 111.767 164.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.96 -84.78 0.66 Allowed Glycine 0 C--O 1.226 -0.388 0 N-CA-C 108.309 -1.917 . . . . 0.0 108.309 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.5 t70 65.18 -64.6 0.17 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.21 2.204 . . . . 0.0 116.515 165.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.05 -67.03 0.76 Allowed Glycine 0 CA--C 1.529 0.92 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.73 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -41.57 97.62 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 120.137 1.969 . . . . 0.0 110.422 -175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -64.58 -35.51 81.23 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 117.249 -1.357 . . . . 0.0 109.266 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.26 -49.56 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 125.529 1.532 . . . . 0.0 110.151 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.7 m -54.02 -60.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 122.577 0.351 . . . . 0.0 110.402 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -29.59 65.51 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 118.099 -0.953 . . . . 0.0 113.097 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -59.26 -58.6 7.92 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -58.38 -31.9 68.09 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.291 0.636 . . . . 0.0 112.517 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -68.03 -59.36 3.31 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.849 1.259 . . . . 0.0 109.151 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -31.26 72.13 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.286 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -56.76 -61.27 2.55 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.67 92.73 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.753 0.821 . . . . 0.0 112.08 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.02 -51.87 62.64 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.656 0.782 . . . . 0.0 110.003 172.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -52.81 64.15 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.642 -0.694 . . . . 0.0 109.965 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.4 90.53 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.099 2.96 . . . . 0.0 112.128 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.28 -47.95 88.11 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -40.8 92.62 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.218 -1.373 . . . . 0.0 111.901 176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.1 p -66.23 -43.12 87.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 120.839 1.654 . . . . 0.0 109.418 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -54.22 -58.29 7.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.647 1.112 . . . . 0.0 111.106 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -59.43 -43.03 93.15 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 123.534 0.734 . . . . 0.0 110.77 -175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -73.07 -37.07 66.93 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 -178.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.5 -50.93 57.91 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.748 1.166 . . . . 0.0 110.928 170.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.27 -48.72 70.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.52 1.128 . . . . 0.0 110.348 173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.8 m -57.01 -53.25 60.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.798 1.239 . . . . 0.0 108.308 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.445 HG21 HD12 ' A' ' 49' ' ' ILE . 47.2 t -58.57 -53.08 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.95 1.7 . . . . 0.0 109.554 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -51.4 -51.2 56.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 120.55 1.523 . . . . 0.0 110.07 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -59.11 -53.5 57.62 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 118.478 -0.773 . . . . 0.0 111.236 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -55.73 -55.29 33.99 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.33 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.42 HD22 ' HZ2' ' A' ' 22' ' ' TRP . 29.5 mt -55.05 -41.57 71.61 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.66 1.118 . . . . 0.0 109.482 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.26 -41.3 99.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.267 1.394 . . . . 0.0 111.979 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -72.98 -54.8 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.529 0.732 . . . . 0.0 109.089 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.0 mt -47.4 -51.49 19.69 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.012 2.525 . . . . 0.0 109.972 172.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t -57.01 -48.97 77.21 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.344 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.11 -35.98 60.66 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-O 118.434 -1.203 . . . . 0.0 113.858 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.53 ' HB3' HD12 ' A' ' 118' ' ' LEU . 4.0 mmp_? -69.32 -71.92 0.21 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.287 1.835 . . . . 0.0 108.043 174.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.0 mm -50.97 -34.18 13.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 129.435 3.094 . . . . 0.0 110.7 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -52.31 -44.54 65.13 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.103 1.761 . . . . 0.0 111.172 175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -72.64 -53.0 13.04 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.49 -22.77 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.648 2.379 . . . . 0.0 114.958 -164.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.511 ' HD3' ' H ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER 58.56 -134.44 1.0 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.402 -2.061 . . . . 0.0 107.85 162.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.511 ' H ' ' HD3' ' A' ' 114' ' ' ARG . 1.1 t60 -160.71 23.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 120.038 1.29 . . . . 0.0 111.377 173.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -139.63 -71.31 0.39 Allowed 'General case' 0 C--O 1.225 -0.202 0 O-C-N 120.913 -1.117 . . . . 0.0 108.214 -167.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 154.09 156.68 0.01 OUTLIER 'General case' 0 C--O 1.246 0.92 1 C-N-CA 133.661 4.785 . . . . 0.0 102.723 -159.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 109' ' ' ARG . 16.8 mt . . . . . 0 C--O 1.248 1.008 0 O-C-N 121.814 -0.553 . . . . 0.0 112.48 -141.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.449 ' CG ' ' H ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' H ' ' CG ' ' A' ' 1' ' ' ARG . 21.3 m -72.22 124.88 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 126.347 1.859 . . . . 0.0 108.738 -175.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -161.24 112.63 1.79 Allowed 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.191 1.796 . . . . 0.0 106.949 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.17 112.72 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 157.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.68 94.29 1.34 Allowed 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.602 -1.999 . . . . 0.0 105.602 169.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.95 -177.66 40.95 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 108.408 -1.877 . . . . 0.0 108.408 -161.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -165.69 19.61 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.397 2.279 . . . . 0.0 111.619 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -92.52 124.91 36.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.368 -0.832 . . . . 0.0 110.145 -171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.293 0.7 OUTLIER 55.07 7.12 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 129.345 3.058 . . . . 0.0 114.081 -174.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -118.89 -171.1 2.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.139 2.176 . . . . 0.0 107.828 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.6 136.2 35.73 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.061 0.545 . . . . 0.0 109.679 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -78.58 35.72 0.24 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.41 1.884 . . . . 0.0 112.468 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CE1' ' HE3' ' A' ' 100' ' ' LYS . 94.0 m-85 -109.86 34.05 4.06 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.232 1.413 . . . . 0.0 107.537 168.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.9 76.96 1.53 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -134.47 164.01 47.09 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 126.135 1.774 . . . . 0.0 107.99 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -50.27 -48.16 21.17 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.833 2.356 . . . . 0.0 112.076 168.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -71.45 0.07 Allowed 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 128.483 2.713 . . . . 0.0 114.521 -159.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -65.51 -39.75 86.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.428 1.013 . . . . 0.0 110.84 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.47 -33.16 61.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.938 0.895 . . . . 0.0 109.012 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.56 ' O ' HD22 ' A' ' 24' ' ' LEU . 12.4 t70 -66.35 -49.59 66.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.751 2.02 . . . . 0.0 109.785 172.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.05 -38.23 62.26 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.927 -0.483 . . . . 0.0 110.899 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 53.1 m0 -73.96 -34.34 64.24 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 172.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.51 -47.38 57.41 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.271 1.428 . . . . 0.0 109.152 171.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -81.24 -30.45 34.14 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.766 176.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 22' ' ' TRP . . . -52.84 -28.39 22.62 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.024 1.284 . . . . 0.0 111.925 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.02 -23.23 61.78 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.374 1.87 . . . . 0.0 113.647 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -159.27 78.29 0.73 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.741 2.416 . . . . 0.0 109.169 168.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.33 -59.81 0.96 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.672 1.589 . . . . 0.0 111.304 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -169.46 8.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -170.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -75.61 -172.87 1.99 Allowed 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.328 1.051 . . . . 0.0 109.577 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.5 p -108.28 160.96 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.402 0.681 . . . . 0.0 109.221 166.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -53.57 -40.73 65.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 118.659 0.663 . . . . 0.0 111.712 -177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -70.26 -53.21 17.88 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 122.697 0.399 . . . . 0.0 109.989 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HG3' ' HA ' ' A' ' 117' ' ' GLU . 2.3 tm-20 -61.2 -39.55 90.63 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 124.29 0.994 . . . . 0.0 108.628 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.52 -55.32 35.23 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.509 1.524 . . . . 0.0 109.505 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.71 -36.51 76.69 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 120.171 -1.58 . . . . 0.0 111.958 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.07 -56.09 19.89 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.711 0.804 . . . . 0.0 109.054 173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -37.92 55.97 Favored 'General case' 0 C--O 1.213 -0.817 0 C-N-CA 124.11 0.964 . . . . 0.0 109.283 173.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.98 -43.84 67.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 121.497 1.953 . . . . 0.0 108.866 -171.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.27 0.2 OUTLIER -64.99 -49.63 69.52 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.608 0.718 . . . . 0.0 111.175 177.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -59.75 -40.38 87.94 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.243 1.417 . . . . 0.0 111.019 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.71 -35.43 72.73 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.109 -1.424 . . . . 0.0 110.653 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -43.42 91.54 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 121.022 1.737 . . . . 0.0 109.82 172.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -60.91 -42.07 97.36 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.654 -0.653 . . . . 0.0 110.715 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.2 -57.84 8.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.341 1.057 . . . . 0.0 112.35 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -44.3 80.46 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.464 1.905 . . . . 0.0 107.772 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.56 -54.58 42.29 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 120.139 -0.624 . . . . 0.0 110.264 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.66 -54.05 26.09 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.256 -0.278 . . . . 0.0 110.814 -179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 tt -77.46 -25.27 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.978 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -64.6 -41.64 96.09 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 120.426 1.466 . . . . 0.0 110.305 169.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -71.67 -37.82 70.71 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.214 -0.929 . . . . 0.0 111.083 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -56.66 -52.03 66.45 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 119.946 1.248 . . . . 0.0 111.045 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -46.88 -48.83 21.07 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.319 1.448 . . . . 0.0 110.346 170.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -44.25 82.08 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.82 0.736 . . . . 0.0 110.512 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.34 -54.69 21.7 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 117.31 -1.329 . . . . 0.0 113.487 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.601 1.091 . . . . 0.0 110.27 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.85 -53.64 47.52 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.502 0.668 . . . . 0.0 109.264 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -59.04 -28.59 66.57 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 116.509 -1.71 . . . . 0.0 111.748 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.24 -51.25 32.18 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.442 1.473 . . . . 0.0 111.081 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.57 -49.38 72.87 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.414 0.625 . . . . 0.0 110.015 178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.2 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -62.46 -38.2 88.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 117.475 -1.25 . . . . 0.0 110.769 177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -42.76 74.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 119.101 0.864 . . . . 0.0 109.675 -176.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -59.91 -56.22 24.49 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.617 0.722 . . . . 0.0 109.061 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -18.69 64.81 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.081 -1.012 . . . . 0.0 112.241 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.75 -51.1 44.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.471 -1.393 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -53.99 -37.47 64.04 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 120.146 1.339 . . . . 0.0 110.444 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -64.05 -38.81 92.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 119.386 -0.926 . . . . 0.0 111.192 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.89 -43.87 34.14 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.548 1.139 . . . . 0.0 113.057 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.93 -34.39 77.35 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.008 0.822 . . . . 0.0 109.195 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.0 m -66.75 -7.16 19.18 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.97 -55.58 9.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.306 0 CA-C-N 120.401 1.455 . . . . 0.0 110.681 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.2 76.63 1.21 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -158.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -128.0 -105.52 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 162.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -61.86 0.51 Allowed Glycine 0 CA--C 1.521 0.451 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -162.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -64.05 -55.58 21.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.985 1.392 . . . . 0.0 110.065 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -62.66 -28.93 70.26 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 120.65 -1.281 . . . . 0.0 111.379 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.65 -59.02 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.85 1.66 . . . . 0.0 107.725 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -61.87 -42.76 99.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 119.09 0.859 . . . . 0.0 111.88 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -62.7 -37.13 85.26 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.413 1.461 . . . . 0.0 110.996 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.5 m -55.64 -62.25 1.81 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.632 168.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -55.3 -35.41 65.08 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.767 1.167 . . . . 0.0 112.733 -174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.46 -54.42 45.73 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 127.039 2.135 . . . . 0.0 108.412 175.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' CD ' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -65.58 -36.24 83.18 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.343 -179.356 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 62' ' ' ALA . 8.8 m80 -59.91 -48.79 80.25 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.97 -46.08 88.95 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.741 0.816 . . . . 0.0 112.428 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -46.56 89.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.987 0.898 . . . . 0.0 109.572 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.48 HD13 ' CD ' ' A' ' 84' ' ' LYS . 1.6 mp -59.7 -50.03 75.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.63 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -58.4 -41.15 84.27 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.653 1.981 . . . . 0.0 111.271 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.64 -51.11 59.86 Favored Glycine 0 C--N 1.334 0.472 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.492 HH11 HD23 ' A' ' 95' ' ' LEU . 19.7 tpp180 -61.67 -40.88 96.51 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 116.107 -1.901 . . . . 0.0 112.069 174.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.5 p -68.01 -31.22 70.76 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 122.788 2.54 . . . . 0.0 111.779 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -62.87 -56.05 20.74 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.827 1.194 . . . . 0.0 110.43 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.19 -45.37 87.7 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.248 0.619 . . . . 0.0 111.128 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -72.99 -39.67 65.87 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 121.376 -0.828 . . . . 0.0 110.147 -176.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.02 -45.38 92.44 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 173.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -56.72 -47.62 79.56 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.077 0.951 . . . . 0.0 110.929 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -56.81 -56.86 16.16 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 125.572 1.549 . . . . 0.0 108.508 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.2 t -52.71 -57.71 3.88 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 116.358 -1.782 . . . . 0.0 108.463 173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 13' ' ' PHE . 53.3 mtpt -47.41 -54.33 11.58 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.767 1.621 . . . . 0.0 111.642 -175.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.11 -50.16 69.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 120.146 1.339 . . . . 0.0 112.713 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -57.15 -53.36 58.92 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 118.256 0.48 . . . . 0.0 110.48 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.31 -49.47 77.05 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 110.591 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -59.15 -34.75 72.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.136 1.335 . . . . 0.0 110.842 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -73.0 -57.14 4.25 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.961 0.801 . . . . 0.0 110.454 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.9 mt -48.15 -50.98 26.88 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 126.928 2.091 . . . . 0.0 112.275 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 p -68.29 -47.47 67.55 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -52.25 -40.84 53.37 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 120.101 1.319 . . . . 0.0 113.75 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -61.01 -67.86 0.36 Allowed 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 128.098 2.559 . . . . 0.0 109.337 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.0 mt -70.13 -14.02 17.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.149 1.38 . . . . 0.0 110.763 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.4 m -58.0 -39.02 77.25 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.232 -1.542 . . . . 0.0 110.041 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -74.71 -66.66 0.72 Allowed 'General case' 0 C--N 1.341 0.204 0 CA-C-O 117.703 -1.142 . . . . 0.0 107.928 161.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 59.97 122.15 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.186 1.794 . . . . 0.0 109.878 -156.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -144.41 150.68 38.09 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 -161.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.12 174.52 0.65 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 123.433 0.458 . . . . 0.0 111.172 173.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.8 m120 49.24 37.31 10.96 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.833 1.253 . . . . 0.0 112.82 163.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HA ' ' HG3' ' A' ' 34' ' ' GLU 0.348 2.0 tt0 58.29 49.36 11.18 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.954 1.359 . . . . 0.0 112.471 172.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.281 8.6 mp . . . . . 0 C--O 1.249 1.063 0 C-N-CA 128.744 2.818 . . . . 0.0 112.289 159.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.492 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 1' ' ' ARG . 11.3 m -50.39 139.27 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 119.087 0.858 . . . . 0.0 111.771 165.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -149.59 100.62 3.0 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -170.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -164.47 -63.34 0.04 OUTLIER 'General case' 0 C--O 1.231 0.091 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 44.25 70.29 0.34 Allowed 'General case' 0 C--N 1.343 0.285 0 C-N-CA 126.01 1.724 . . . . 0.0 109.488 -163.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.87 146.16 18.05 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 105.409 -3.076 . . . . 0.0 105.409 147.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -146.63 154.24 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 167.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p 67.57 109.74 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.888 1.675 . . . . 0.0 110.698 -174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.252 2.6 t 57.35 7.22 0.46 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.168 1.787 . . . . 0.0 115.11 -174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -115.25 74.31 0.88 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 42.59 -156.21 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.845 2.058 . . . . 0.0 111.994 -164.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -151.39 5.6 0.47 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 128.445 2.698 . . . . 0.0 111.16 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -112.36 -159.06 0.67 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 49' ' ' ILE . 0.8 OUTLIER 66.49 6.85 4.62 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.474 0.31 . . . . 0.0 111.482 176.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.27 139.3 97.45 Favored Pre-proline 0 N--CA 1.444 -0.73 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -58.98 -29.86 91.75 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 121.331 1.354 . . . . 0.0 112.009 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 -47.51 -53.54 14.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 128.007 2.523 . . . . 0.0 113.865 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.88 -44.66 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.094 0.861 . . . . 0.0 110.93 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 mm -55.83 -40.79 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.687 1.195 . . . . 0.0 109.073 175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -69.55 -41.3 76.09 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 126.458 1.903 . . . . 0.0 109.964 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -47.28 70.94 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.75 1.62 . . . . 0.0 110.906 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.468 ' CZ2' HD23 ' A' ' 103' ' ' LEU . 19.9 m0 -67.89 -36.79 80.85 Favored 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 174.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.57 -51.28 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.455 0.702 . . . . 0.0 110.361 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER -84.39 -16.45 42.74 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 115.906 -1.997 . . . . 0.0 112.188 177.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -43.02 34.67 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 121.446 1.93 . . . . 0.0 110.208 170.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -48.82 -46.94 42.62 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.538 1.935 . . . . 0.0 111.868 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 m -94.92 -8.51 36.87 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.918 0.887 . . . . 0.0 112.26 -174.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.51 -56.7 5.94 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 124.928 1.291 . . . . 0.0 111.662 -161.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -172.08 -143.23 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.588 2.355 . . . . 0.0 105.303 -158.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.2 mt 81.91 -166.6 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.854 3.662 . . . . 0.0 108.306 165.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.7 p -127.28 154.19 45.21 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 125.16 1.384 . . . . 0.0 110.504 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.15 -35.66 69.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.139 0.975 . . . . 0.0 112.153 -170.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -56.32 5.87 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.668 -0.645 . . . . 0.0 110.373 -178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.39 -56.06 10.88 Favored 'General case' 0 C--O 1.222 -0.361 0 O-C-N 126.138 2.149 . . . . 0.0 107.075 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.2 tm? -51.68 -50.01 61.26 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.465 1.506 . . . . 0.0 110.336 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -47.38 82.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 120.676 1.58 . . . . 0.0 110.625 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.51 79.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 118.351 -0.833 . . . . 0.0 112.771 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -41.46 91.54 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 172.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -50.56 73.03 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 120.339 1.427 . . . . 0.0 107.491 -173.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -61.5 -50.81 71.23 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.388 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.7 -41.04 73.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.933 1.293 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.19 -38.09 57.01 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 124.768 1.227 . . . . 0.0 111.35 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.86 -37.39 79.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 118.921 0.782 . . . . 0.0 110.223 171.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.38 -40.3 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.656 -1.277 . . . . 0.0 111.518 171.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -62.1 -56.89 14.33 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.222 1.009 . . . . 0.0 110.648 177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -46.28 75.5 Favored 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.195 1.398 . . . . 0.0 107.74 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.6 74.97 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 119.838 1.199 . . . . 0.0 112.285 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG3' HD21 ' A' ' 95' ' ' LEU . 6.8 tptt -49.07 -58.94 4.1 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 123.748 0.819 . . . . 0.0 109.924 174.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 14' ' ' GLU . 6.9 tt -73.95 -27.19 22.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.555 -171.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.62 -47.41 86.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 125.001 1.32 . . . . 0.0 109.739 172.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -80.13 -36.46 35.24 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 119.083 -0.484 . . . . 0.0 111.197 -174.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 18.1 t-80 -50.55 -56.87 9.75 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.787 162.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -48.32 -46.73 36.69 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 110.849 173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -59.9 -45.27 93.08 Favored 'General case' 0 C--N 1.343 0.298 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -66.15 -51.15 60.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 117.123 -1.418 . . . . 0.0 111.735 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -46.78 -43.27 18.1 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.056 1.342 . . . . 0.0 109.431 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -39.88 42.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.923 -172.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.12 -27.23 68.23 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.135 168.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -51.06 59.19 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 121.287 1.858 . . . . 0.0 109.49 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -54.85 -56.85 14.98 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 124.144 0.903 . . . . 0.0 109.17 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mt -68.73 -29.21 42.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 O-C-N 121.714 -0.616 . . . . 0.0 109.845 -175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.01 91.11 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.4 -1.438 . . . . 0.0 109.891 173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -59.91 -45.51 92.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.557 1.143 . . . . 0.0 109.685 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.81 -58.65 7.44 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -55.36 -45.46 76.48 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.742 -0.599 . . . . 0.0 110.628 -176.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.89 -52.41 65.62 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.6 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -40.97 66.05 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.309 1.868 . . . . 0.0 109.717 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -24.42 61.68 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.063 0.545 . . . . 0.0 112.265 -178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -101.4 -22.33 14.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.565 1.146 . . . . 0.0 113.817 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.78 -44.46 93.89 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 160.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.8 t -63.27 4.48 0.21 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.367 1.467 . . . . 0.0 114.111 175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 73.1 t -91.16 -29.4 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 121.086 1.766 . . . . 0.0 110.435 169.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.06 3.43 79.49 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-N 119.589 1.086 . . . . 0.0 113.484 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.1 150.35 45.58 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 163.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.53 -13.22 6.33 Favored Glycine 0 CA--C 1.532 1.095 0 CA-C-N 118.958 0.799 . . . . 0.0 114.175 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -79.3 -53.05 7.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 119.145 1.472 . . . . 0.0 109.37 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.9 -27.49 69.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.843 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -61.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 125.752 1.621 . . . . 0.0 109.02 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -51.13 -47.37 62.02 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.727 0.811 . . . . 0.0 110.626 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -48.11 81.52 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 121.739 -0.601 . . . . 0.0 110.243 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -55.98 15.23 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.515 0.726 . . . . 0.0 111.893 173.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -70.1 -30.84 68.15 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.978 0.418 . . . . 0.0 110.899 -167.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.52 -48.16 70.64 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.275 1.43 . . . . 0.0 108.695 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.55 -34.68 78.8 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.061 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.82 -53.54 57.07 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.29 -45.23 80.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 123.179 0.299 . . . . 0.0 110.931 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -49.34 72.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.576 0.75 . . . . 0.0 110.304 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.6 -45.91 90.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.33 -36.6 73.63 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.438 1.895 . . . . 0.0 110.956 176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.47 -53.67 44.19 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -37.0 85.81 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-O 116.911 -1.519 . . . . 0.0 111.411 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 52' ' ' HIS . 7.9 p -72.18 -37.26 69.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 121.57 1.986 . . . . 0.0 112.036 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -59.55 -46.95 87.38 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 119.8 1.182 . . . . 0.0 110.342 169.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.93 -56.05 25.36 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.628 0.649 . . . . 0.0 111.214 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -74.17 -33.28 63.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.824 -167.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.63 -35.61 90.13 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.649 1.113 . . . . 0.0 111.445 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.16 -46.79 82.45 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.633 -1.51 . . . . 0.0 110.506 167.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.7 m -61.95 -52.78 62.66 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.944 1.298 . . . . 0.0 109.77 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.7 t -48.78 -56.19 2.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.49 0 C-N-CA 126.767 2.027 . . . . 0.0 108.222 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -57.39 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.681 1.128 . . . . 0.0 111.844 -173.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.14 70.74 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.437 0.562 . . . . 0.0 110.39 -176.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.66 -49.26 71.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.089 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.468 HD23 ' CZ2' ' A' ' 22' ' ' TRP . 1.9 mt -52.82 -44.7 66.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 119.873 1.215 . . . . 0.0 112.105 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -66.16 -46.41 77.5 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.068 0.547 . . . . 0.0 109.6 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -67.42 -47.99 68.61 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 122.185 -0.322 . . . . 0.0 111.022 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.1 -48.2 64.86 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 126.836 2.054 . . . . 0.0 110.045 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 28.7 t -62.35 -40.0 94.97 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.917 0.887 . . . . 0.0 110.936 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.31 -35.2 91.74 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 119.342 -0.699 . . . . 0.0 112.113 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.524 ' HB3' HD13 ' A' ' 118' ' ' LEU . 73.5 mtt-85 -77.25 -59.77 2.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.169 1.387 . . . . 0.0 109.033 -175.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 23.2 mm -59.15 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 O-C-N 120.817 -1.177 . . . . 0.0 110.375 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -13.34 61.48 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.686 0.676 . . . . 0.0 112.012 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -79.65 -53.44 6.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.089 168.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.28 60.16 2.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.531 1.932 . . . . 0.0 112.059 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -73.47 163.74 27.63 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.816 1.246 . . . . 0.0 111.76 -174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -75.78 83.29 2.74 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 158.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 t30 175.15 170.42 0.29 Allowed 'General case' 0 C--O 1.236 0.357 0 C-N-CA 130.297 3.439 . . . . 0.0 105.685 171.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.54 173.35 5.11 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 119.288 -0.965 . . . . 0.0 109.72 162.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 109' ' ' ARG . 47.4 mt . . . . . 0 C--O 1.245 0.843 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -157.95 177.77 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 127.534 2.334 . . . . 0.0 105.106 -165.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -170.49 0.89 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 120.617 1.553 . . . . 0.0 113.169 -171.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -133.67 77.96 1.75 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.483 2.313 . . . . 0.0 106.459 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -67.53 -176.81 0.65 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.299 1.047 . . . . 0.0 109.443 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.66 37.68 3.43 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 125.728 1.633 . . . . 0.0 110.599 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 63.61 -68.01 0.09 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.765 2.826 . . . . 0.0 111.559 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m 58.47 115.89 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 129.425 3.09 . . . . 0.0 113.383 -170.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 75.12 -60.54 0.51 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.809 1.244 . . . . 0.0 108.036 -177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 177.19 150.18 0.16 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 131.611 3.964 . . . . 0.0 105.52 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 118.97 14.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -136.17 5.78 3.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.526 1.531 . . . . 0.0 111.23 -172.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 100' ' ' LYS . 2.2 m-85 -136.9 -40.86 0.6 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.838 0.855 . . . . 0.0 111.532 -155.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.748 ' HB2' HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -130.94 115.78 16.97 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 103.549 -2.76 . . . . 0.0 103.549 155.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . 0.307 7.4 mt-10 153.31 -54.4 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 130.526 3.531 . . . . 0.0 108.039 168.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.34 171.2 18.73 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 CA-C-O 123.19 1.246 . . . . 0.0 113.36 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -62.37 13.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 128.933 2.893 . . . . 0.0 116.17 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -58.68 -40.78 80.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 121.333 1.879 . . . . 0.0 110.592 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 30.5 mm -63.11 -36.37 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 121.334 -0.854 . . . . 0.0 109.565 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.561 ' O ' HD22 ' A' ' 24' ' ' LEU . 11.2 t70 -65.51 -40.23 92.75 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.454 1.502 . . . . 0.0 109.915 174.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -54.42 -51.1 65.97 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 120.683 -1.261 . . . . 0.0 110.782 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 1.3 m95 -67.32 -26.4 66.49 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 118.351 -1.34 . . . . 0.0 111.276 177.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.44 -54.43 40.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.063 0.847 . . . . 0.0 110.104 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -72.02 -26.32 62.17 Favored 'General case' 0 CA--C 1.501 -0.922 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.508 -175.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.39 -12.47 1.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -61.22 -13.11 15.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 120.271 1.396 . . . . 0.0 114.182 167.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 m -151.38 -1.49 0.34 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.413 -1.43 . . . . 0.0 113.026 173.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.0 -61.08 2.15 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.551 1.069 . . . . 0.0 113.178 -160.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.676 ' H ' HD12 ' A' ' 30' ' ' LEU . 20.2 t-20 -173.97 32.41 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.186 1.394 . . . . 0.0 110.901 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 29' ' ' ASN . 1.5 mp -93.61 -141.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -173.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -135.94 163.22 30.77 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.843 1.201 . . . . 0.0 109.379 174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -27.25 68.35 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -173.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -87.88 -44.32 11.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.699 0.682 . . . . 0.0 110.388 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.46 -29.09 65.91 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.529 1.131 . . . . 0.0 109.24 173.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 38' ' ' PHE . 2.8 tm? -66.75 -55.49 14.78 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 127.598 2.359 . . . . 0.0 110.891 169.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -52.94 -41.68 64.73 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 122.102 2.228 . . . . 0.0 111.075 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.37 -54.19 46.92 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.474 1.108 . . . . 0.0 109.134 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.25 -39.68 64.03 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.815 175.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.35 -40.03 52.33 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 119.74 1.155 . . . . 0.0 109.048 -165.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.73 -43.69 83.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 117.241 -1.784 . . . . 0.0 110.664 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.73 -40.86 84.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.548 0.739 . . . . 0.0 110.708 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.43 -37.6 74.42 Favored 'General case' 0 CA--C 1.506 -0.721 0 C-N-CA 125.332 1.453 . . . . 0.0 110.362 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -63.64 -41.56 98.22 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 120.527 1.512 . . . . 0.0 110.116 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -63.07 -46.63 86.54 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 121.261 -0.9 . . . . 0.0 109.498 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -62.8 -55.79 23.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.26 -46.67 72.71 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.586 1.954 . . . . 0.0 109.262 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.35 76.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.268 0.556 . . . . 0.0 110.162 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.23 -48.43 81.79 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 117.585 -1.198 . . . . 0.0 112.234 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 14' ' ' GLU . 6.0 tp -63.05 -38.65 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 119.804 1.184 . . . . 0.0 109.306 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -34.7 76.38 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.787 1.176 . . . . 0.0 111.053 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -73.71 -41.46 62.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 120.231 -1.543 . . . . 0.0 111.138 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.447 ' HB2' HD12 ' A' ' 95' ' ' LEU . 21.5 t-80 -51.3 -53.13 38.76 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 119.411 1.005 . . . . 0.0 109.501 169.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -50.66 -50.25 55.16 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.872 1.669 . . . . 0.0 111.757 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -57.98 -39.28 77.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -74.56 -49.18 22.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.734 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.24 -34.43 63.99 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.721 1.601 . . . . 0.0 109.479 178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -71.82 -47.64 51.82 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.047 -1.861 . . . . 0.0 110.631 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -55.95 -25.42 43.48 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.959 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -44.26 43.9 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 120.188 1.358 . . . . 0.0 109.903 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -53.06 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.33 -33.39 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 122.932 0.493 . . . . 0.0 109.709 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.58 32.47 Favored 'General case' 0 C--N 1.339 0.148 0 O-C-N 120.708 -1.245 . . . . 0.0 109.543 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -55.49 -47.46 76.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.433 1.493 . . . . 0.0 110.211 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.53 -50.23 73.75 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 122.477 1.132 . . . . 0.0 110.485 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.517 -0.297 0 O-C-N 120.991 -1.068 . . . . 0.0 112.171 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -62.0 1.87 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.61 1.564 . . . . 0.0 108.604 171.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -66.92 -32.0 72.95 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.65 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -71.58 -29.73 65.04 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.916 1.234 . . . . 0.0 111.932 173.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.51 -29.53 62.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.457 -1.402 . . . . 0.0 111.021 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.55 -39.31 93.23 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 168.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 m -66.24 6.74 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -112.09 -30.55 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 121.114 1.779 . . . . 0.0 112.23 165.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.3 -3.26 47.14 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 119.38 0.991 . . . . 0.0 114.788 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -71.17 98.58 1.72 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.646 1.223 . . . . 0.0 107.75 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.87 -33.32 82.86 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.617 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.63 -40.45 76.54 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.697 1.249 . . . . 0.0 109.9 -172.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -71.84 -31.15 66.21 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.884 -1.135 . . . . 0.0 111.663 171.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.0 -55.23 23.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 119.81 1.186 . . . . 0.0 108.655 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 m -46.71 -60.27 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -70.29 -24.63 63.07 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -173.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -60.69 -53.12 61.33 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.35 69.42 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.0 112.062 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -66.0 -51.52 57.66 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 125.315 1.446 . . . . 0.0 108.91 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -65.63 -32.16 73.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.054 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -59.67 -58.12 9.94 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.87 75.25 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.117 0.967 . . . . 0.0 112.259 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 tp -54.87 -55.88 25.57 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.329 1.052 . . . . 0.0 111.24 171.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.1 mt -62.57 -48.64 78.58 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.569 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -44.0 73.1 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.473 1.909 . . . . 0.0 110.188 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.57 -52.73 51.24 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -67.85 -31.42 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 116.654 -1.641 . . . . 0.0 112.164 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.2 p -68.48 -41.93 79.41 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 122.526 2.421 . . . . 0.0 109.809 178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -56.04 -57.62 11.36 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 119.3 0.955 . . . . 0.0 111.04 170.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.11 -49.93 75.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 122.574 1.178 . . . . 0.0 110.413 -172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -75.89 -33.14 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.538 -1.351 . . . . 0.0 110.931 -176.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.03 92.04 Favored Glycine 0 CA--C 1.528 0.858 0 CA-C-N 120.121 1.328 . . . . 0.0 110.769 172.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -46.76 82.85 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.145 0.978 . . . . 0.0 110.351 171.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.1 m -64.46 -48.28 75.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.587 0.755 . . . . 0.0 111.503 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.58 -67.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 126.514 1.926 . . . . 0.0 106.544 166.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -55.46 -43.86 75.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.838 1.199 . . . . 0.0 112.5 -171.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -58.98 -61.27 2.76 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 118.76 0.709 . . . . 0.0 109.882 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -25.01 67.48 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.247 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -60.27 -52.12 66.63 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 120.586 1.539 . . . . 0.0 109.714 175.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.63 -32.96 74.59 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 118.436 0.562 . . . . 0.0 111.131 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.95 -60.84 3.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 94.3 mt -46.07 -55.19 7.27 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 127.536 2.334 . . . . 0.0 109.292 171.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.6 t -56.88 -35.79 69.35 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.475 0.71 . . . . 0.0 111.506 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.42 -50.74 7.94 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.984 0.811 . . . . 0.0 111.715 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.6 -50.57 50.51 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.124 1.369 . . . . 0.0 110.181 -168.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.56 -54.45 31.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 126.942 2.097 . . . . 0.0 109.256 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.7 m -70.25 -11.59 61.01 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -172.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -77.22 -70.77 0.45 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 160.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 53.39 118.22 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 128.636 2.774 . . . . 0.0 112.658 -159.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -99.48 -56.76 2.31 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 119.967 -1.708 . . . . 0.0 112.178 -161.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 154.09 -34.85 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 1 C-N-CA 131.842 4.057 . . . . 0.0 108.998 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -139.82 161.83 36.62 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.75 1.62 . . . . 0.0 108.143 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.84 151.76 20.76 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.507 1.523 . . . . 0.0 113.076 -151.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.334 -157.065 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 t 61.13 165.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 126.645 1.978 . . . . 0.0 109.57 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t 58.3 -167.96 0.14 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.707 1.242 . . . . 0.0 111.834 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.42 -79.32 0.29 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 168.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -66.82 -27.73 67.8 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.468 1.107 . . . . 0.0 111.509 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.86 -160.32 50.28 Favored Glycine 0 C--N 1.337 0.588 0 N-CA-C 108.798 -1.721 . . . . 0.0 108.798 -167.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 59.46 82.42 0.15 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.342 1.457 . . . . 0.0 109.367 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.18 117.31 2.93 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.316 0.646 . . . . 0.0 109.298 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 t -78.27 -53.22 7.55 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -172.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -179.92 127.82 0.08 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 101.455 -3.535 . . . . 0.0 101.455 -170.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.56 -154.79 0.05 Allowed 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.942 0.897 . . . . 0.0 112.735 -162.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 50.27 35.9 11.56 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.997 2.119 . . . . 0.0 113.417 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -52.59 114.19 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.15 -1.386 . . . . 0.0 107.494 149.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 33.8 mt-10 -121.02 -88.94 0.62 Allowed 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 168.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -131.72 68.98 81.27 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 119.817 1.19 . . . . 0.0 109.194 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -86.99 -54.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 123.054 2.503 . . . . 0.0 114.26 -174.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -162.71 -34.37 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.477 1.511 . . . . 0.0 110.72 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 103' ' ' LEU . 1.5 p -60.51 -51.24 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 120.022 -1.674 . . . . 0.0 110.87 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -23.1 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 C-N-CA 123.258 0.623 . . . . 0.0 111.684 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 10.4 t70 -73.2 -44.6 59.49 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.831 1.196 . . . . 0.0 109.998 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -39.06 66.21 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.52 -0.737 . . . . 0.0 109.542 171.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.29 -33.55 69.82 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 123.568 0.543 . . . . 0.0 112.172 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -56.04 -48.52 75.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.391 1.476 . . . . 0.0 109.166 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER -77.18 -31.16 55.22 Favored 'General case' 0 C--N 1.345 0.395 0 CA-C-O 116.584 -1.674 . . . . 0.0 110.282 179.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.5 -38.24 9.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 120.001 1.273 . . . . 0.0 112.047 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -50.14 -27.82 6.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.219 2.608 . . . . 0.0 114.602 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 p -146.3 4.27 0.92 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.037 1.335 . . . . 0.0 113.211 -166.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 -87.16 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.141 1.777 . . . . 0.0 110.948 -172.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -159.48 12.23 0.13 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.868 1.267 . . . . 0.0 112.177 -170.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.38 -165.45 0.78 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.914 2.086 . . . . 0.0 110.931 -171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.5 p -116.54 143.79 45.16 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.724 -0.61 . . . . 0.0 110.067 -174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -54.19 -23.54 14.86 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.63 1.972 . . . . 0.0 115.582 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -97.09 -39.13 9.46 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.909 0.884 . . . . 0.0 113.21 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -44.14 76.46 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 168.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.59 -51.15 70.66 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 127.247 2.219 . . . . 0.0 110.092 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -54.16 -48.26 71.07 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 120.72 1.6 . . . . 0.0 110.835 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.92 76.4 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.525 -174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -40.9 89.77 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 124.462 1.101 . . . . 0.0 109.009 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -50.93 71.79 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.4 -50.35 67.97 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.354 1.034 . . . . 0.0 111.707 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.47 -35.38 77.46 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.873 1.215 . . . . 0.0 111.866 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.02 -41.61 95.15 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.255 175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -62.27 -42.49 99.39 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.571 1.078 . . . . 0.0 110.725 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.88 -38.67 91.96 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.384 -0.823 . . . . 0.0 109.897 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -67.32 -56.79 8.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.783 1.233 . . . . 0.0 111.105 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -43.41 68.08 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 126.008 1.723 . . . . 0.0 108.098 179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.14 70.97 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.425 0.631 . . . . 0.0 110.608 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -54.17 -57.69 10.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.704 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 14' ' ' GLU . 7.5 tp -64.51 -36.01 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.591 -174.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.79 -47.6 73.77 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 119.705 1.138 . . . . 0.0 109.338 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -67.25 -45.05 77.88 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 116.609 -1.662 . . . . 0.0 111.632 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.848 ' HB2' HD12 ' A' ' 95' ' ' LEU . 4.3 t-80 -48.68 -58.33 4.92 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.628 2.013 . . . . 0.0 110.791 171.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -47.01 -50.07 19.86 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.041 1.737 . . . . 0.0 112.372 173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.85 -39.62 89.8 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 122.406 1.098 . . . . 0.0 109.156 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -72.4 -41.51 66.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 124.667 1.187 . . . . 0.0 112.099 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.44 -37.61 75.78 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 119.869 1.213 . . . . 0.0 109.169 172.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -66.36 -53.65 33.6 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -64.84 -17.18 64.03 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 117.455 -1.26 . . . . 0.0 112.142 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.45 -53.96 20.07 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 120.569 1.531 . . . . 0.0 110.755 167.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.74 -46.59 84.25 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.322 0.964 . . . . 0.0 110.294 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 57.5 mt -58.47 -48.1 86.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 C-N-CA 125.1 1.36 . . . . 0.0 108.719 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.84 87.37 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 116.895 -1.526 . . . . 0.0 112.245 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -68.25 -45.12 74.06 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 126.079 1.752 . . . . 0.0 109.428 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -54.15 -52.15 62.04 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 170.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -66.58 -23.39 66.19 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.257 -0.902 . . . . 0.0 113.229 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -54.72 20.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.71 2.004 . . . . 0.0 108.002 172.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -57.39 -39.4 76.0 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.333 0.515 . . . . 0.0 109.625 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -67.51 -35.98 80.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.71 76.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.735 0.814 . . . . 0.0 111.874 173.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -64.31 -35.94 82.51 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.6 m -75.99 -3.14 34.0 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -99.22 -34.56 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 121.214 1.824 . . . . 0.0 110.852 167.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.95 56.56 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 119.177 0.898 . . . . 0.0 113.888 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -70.24 92.14 0.76 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.41 -32.43 77.41 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.736 -1.036 . . . . 0.0 112.708 -173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.16 -55.32 26.18 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 118.609 1.204 . . . . 0.0 109.548 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -66.54 -30.79 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.569 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.52 -55.22 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 119.846 1.203 . . . . 0.0 108.15 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.8 m -57.15 -52.65 64.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.993 0.917 . . . . 0.0 110.481 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.5 ttm105 -62.96 -36.17 82.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.053 -1.029 . . . . 0.0 112.185 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -53.47 -59.93 3.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 168.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -55.47 -33.19 63.43 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.31 1.044 . . . . 0.0 113.345 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -70.71 -53.92 13.79 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 124.602 1.161 . . . . 0.0 109.737 -176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.85 -35.05 79.89 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.066 -0.969 . . . . 0.0 109.517 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -61.09 -48.64 80.75 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 124.901 1.28 . . . . 0.0 109.744 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 119.158 0.89 . . . . 0.0 111.734 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -52.26 63.7 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.492 0.495 . . . . 0.0 110.276 172.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.24 -56.31 23.47 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.087 1.355 . . . . 0.0 109.326 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -50.59 -43.62 56.62 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.757 2.023 . . . . 0.0 110.901 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.43 -62.79 5.81 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.696 1.141 . . . . 0.0 110.814 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.84 69.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 118.843 -1.143 . . . . 0.0 110.137 -176.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.0 m -64.16 -62.89 1.34 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.749 1.22 . . . . 0.0 109.281 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -62.14 -29.96 70.7 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 119.471 1.032 . . . . 0.0 112.202 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -60.33 -58.91 6.48 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.408 1.004 . . . . 0.0 109.628 172.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 52' ' ' HIS . 0.8 OUTLIER -67.12 -34.27 77.23 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.766 -172.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.43 -50.73 62.52 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 124.971 1.272 . . . . 0.0 110.958 172.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.49 75.9 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 117.914 0.857 . . . . 0.0 110.517 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.8 m -61.85 -48.59 79.88 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.949 0.9 . . . . 0.0 109.563 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -50.44 -52.72 14.69 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 CA-C-O 117.492 -1.242 . . . . 0.0 108.323 171.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -53.83 -58.58 6.72 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 120.418 1.463 . . . . 0.0 109.69 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -64.28 -46.63 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 120.058 1.299 . . . . 0.0 112.322 -175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.81 -55.49 31.78 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.757 0.823 . . . . 0.0 109.419 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.42 -43.34 83.73 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.47 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.22 -39.97 80.45 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 119.337 0.971 . . . . 0.0 109.554 -177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.84 -52.78 62.74 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.593 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.34 -47.03 79.62 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.252 1.021 . . . . 0.0 110.831 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 -25.51 66.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.903 1.281 . . . . 0.0 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -55.87 21.08 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.401 1.001 . . . . 0.0 110.894 163.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.2 mmt85 -60.78 -63.58 1.25 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.75 2.02 . . . . 0.0 110.94 -171.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.39 -30.62 40.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 126.027 1.731 . . . . 0.0 111.279 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -66.97 -17.43 64.92 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' A' ' 114' ' ' ARG . 3.9 ptp85 -96.54 -17.84 20.2 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.444 1.02 . . . . 0.0 111.865 168.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 42.28 -54.27 0.0 OUTLIER 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 127.641 2.376 . . . . 0.0 115.449 -144.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HB3' ' HD3' ' A' ' 112' ' ' ARG . 4.9 ptm180 52.12 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 129.179 2.991 . . . . 0.0 116.889 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.3 m170 55.37 -162.99 0.14 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 127.046 2.138 . . . . 0.0 112.104 -169.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.0 t30 83.9 -83.11 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 129.094 2.958 . . . . 0.0 106.458 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -167.08 -25.99 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.984 2.114 . . . . 0.0 110.146 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 109' ' ' ARG 0.284 1.4 pt? . . . . . 0 C--O 1.249 1.027 0 C-N-CA 126.387 1.875 . . . . 0.0 112.719 170.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.81 148.0 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 125.404 1.482 . . . . 0.0 107.762 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 24.33 90.71 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.862 2.865 . . . . 0.0 115.014 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.37 12.79 0.29 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.989 -1.07 . . . . 0.0 112.924 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -146.58 77.27 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 104.238 -2.504 . . . . 0.0 104.238 172.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.97 103.82 1.83 Allowed Glycine 0 C--N 1.335 0.502 0 N-CA-C 106.343 -2.703 . . . . 0.0 106.343 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -64.67 -24.49 67.59 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.98 -166.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m 46.88 88.92 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.135 1.774 . . . . 0.0 114.766 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -174.48 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 125.226 1.579 . . . . 0.0 111.696 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -147.91 33.58 0.84 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.555 1.525 . . . . 0.0 111.035 -167.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.43 112.85 2.26 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.009 1.324 . . . . 0.0 109.697 172.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -94.68 20.05 9.13 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.926 1.69 . . . . 0.0 110.658 166.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.63 170.61 8.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.793 -1.192 . . . . 0.0 110.449 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.351 2.5 pt-20 54.02 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 129.402 3.081 . . . . 0.0 112.198 175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.72 158.88 33.05 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 120.802 -1.187 . . . . 0.0 111.353 -174.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -60.94 16.16 0.04 OUTLIER 'Trans proline' 0 CA--C 1.54 0.804 1 C-N-CA 127.307 5.338 . . . . 0.0 114.977 166.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -81.44 0.56 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 124.561 1.144 . . . . 0.0 107.985 171.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 103' ' ' LEU . 25.1 t -53.27 -66.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 126.25 1.82 . . . . 0.0 111.799 -175.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 16.5 mm -60.61 -27.69 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.065 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -43.3 73.41 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.478 1.511 . . . . 0.0 109.813 177.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.52 -47.63 72.89 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 126.248 1.819 . . . . 0.0 108.805 172.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CD1' ' HA ' ' A' ' 19' ' ' ILE . 2.4 m95 -59.91 -38.32 81.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.86 0.755 . . . . 0.0 111.049 174.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.47 -55.1 39.13 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.822 0.737 . . . . 0.0 112.007 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -21.96 61.55 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.879 -178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.41 -10.19 10.68 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.857 0.753 . . . . 0.0 112.535 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.31 -9.34 55.81 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.597 1.089 . . . . 0.0 112.954 166.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.3 m -152.42 0.07 0.3 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 120.24 1.382 . . . . 0.0 113.958 -173.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.69 -58.44 7.18 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.193 0.906 . . . . 0.0 113.303 -162.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -172.53 19.36 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.194 0.997 . . . . 0.0 113.17 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 -163.37 0.91 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.608 -1.308 . . . . 0.0 110.567 -154.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -127.38 148.7 50.27 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.011 1.724 . . . . 0.0 107.143 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.13 -25.54 62.62 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.313 1.415 . . . . 0.0 113.515 -157.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -54.9 22.99 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.735 0.698 . . . . 0.0 109.148 170.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -38.8 63.62 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.468 1.907 . . . . 0.0 109.51 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.54 -63.32 1.12 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 126.17 1.788 . . . . 0.0 109.556 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -54.83 -37.92 66.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.073 1.306 . . . . 0.0 111.141 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.8 -52.89 63.15 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.269 1.028 . . . . 0.0 110.244 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -43.76 81.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -47.76 84.92 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -169.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.28 -42.39 62.51 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.987 0.804 . . . . 0.0 111.398 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.19 -47.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.264 1.025 . . . . 0.0 109.587 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.75 -33.95 76.76 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 117.287 -1.34 . . . . 0.0 111.158 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -44.72 94.53 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 120.687 1.585 . . . . 0.0 109.557 176.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -58.63 -51.75 68.58 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -56.02 -55.18 35.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.592 1.157 . . . . 0.0 112.623 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -63.67 -39.08 93.45 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.452 1.901 . . . . 0.0 109.515 -171.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -41.67 96.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.445 170.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -50.3 73.98 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.138 -0.976 . . . . 0.0 111.58 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 ' HA ' ' A' ' 46' ' ' GLU . 1.4 tp -64.25 -36.39 76.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.649 -1.167 . . . . 0.0 108.97 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.297 1.408 . . . . 0.0 110.583 172.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -71.0 -39.9 72.15 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.014 -1.679 . . . . 0.0 112.909 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -51.81 -57.47 9.22 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 119.68 1.127 . . . . 0.0 109.345 171.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -47.39 -51.19 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 125.863 1.665 . . . . 0.0 110.898 171.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -61.42 -33.68 74.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 119.752 1.16 . . . . 0.0 110.972 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -67.26 -57.06 7.38 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 116.329 -1.796 . . . . 0.0 111.878 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -61.34 -26.06 67.56 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 121.041 1.746 . . . . 0.0 112.824 -175.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.9 -61.76 1.97 Allowed 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 168.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -63.3 -19.31 64.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.291 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.15 -61.85 1.81 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 120.651 1.569 . . . . 0.0 108.3 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -42.01 87.16 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.809 0.814 . . . . 0.0 110.449 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mt -72.0 -42.5 68.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.37 90.86 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.11 -0.947 . . . . 0.0 110.179 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -54.58 -64.18 0.91 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.8 -42.89 94.44 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.511 0.596 . . . . 0.0 111.324 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -51.36 64.73 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.901 0.773 . . . . 0.0 111.407 176.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -33.21 72.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.569 -0.729 . . . . 0.0 111.247 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.55 -41.79 99.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 119.244 0.929 . . . . 0.0 109.147 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -68.36 -40.24 81.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.349 -0.357 . . . . 0.0 111.617 171.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.07 -28.62 67.52 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 117.842 -1.075 . . . . 0.0 112.862 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -57.96 -32.14 67.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 120.924 1.693 . . . . 0.0 108.857 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -7.28 8.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.308 1.043 . . . . 0.0 113.503 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.1 t -79.26 -38.76 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.758 1.163 . . . . 0.0 111.269 173.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.01 34.36 18.32 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-N 119.631 1.105 . . . . 0.0 112.632 -167.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.45 -36.71 29.06 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.179 1.792 . . . . 0.0 112.619 -172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 -65.12 1.86 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.633 1.111 . . . . 0.0 112.896 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.92 -37.89 72.93 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.217 2.008 . . . . 0.0 111.529 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 ttt-85 -60.97 -41.68 96.85 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.259 172.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -59.17 -53.59 45.95 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -47.97 -63.29 1.11 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.922 2.089 . . . . 0.0 110.278 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -56.3 -44.18 79.63 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.88 0.472 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 m -60.46 -48.94 79.59 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.133 -0.461 . . . . 0.0 111.413 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -72.78 -32.87 65.91 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.413 0.685 . . . . 0.0 112.283 -172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -75.14 -44.73 45.29 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 123.847 0.859 . . . . 0.0 109.67 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.39 -34.66 78.82 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.948 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.28 -50.33 74.07 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.41 -42.04 86.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.98 0.809 . . . . 0.0 111.654 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.96 -55.92 17.37 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 126.334 1.854 . . . . 0.0 110.094 170.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.25 -50.91 71.91 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.361 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.74 -52.2 60.91 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.64 1.976 . . . . 0.0 109.927 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.61 -59.33 10.37 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 124.937 1.256 . . . . 0.0 111.761 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -31.26 70.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.974 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 95.6 m -64.01 -57.43 9.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 120.183 1.356 . . . . 0.0 109.019 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -56.84 -41.82 78.56 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.736 1.153 . . . . 0.0 112.31 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.43 -46.67 75.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 118.57 -0.728 . . . . 0.0 112.523 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -71.61 -34.92 70.27 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 119.337 0.971 . . . . 0.0 109.511 -178.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.36 -45.98 73.66 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -44.5 95.95 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.541 1.17 . . . . 0.0 111.933 172.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 78.4 m -59.4 -52.52 65.27 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.567 0.747 . . . . 0.0 109.049 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.419 HG21 HD12 ' A' ' 49' ' ' ILE . 16.8 t -45.4 -60.73 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 126.583 1.953 . . . . 0.0 107.791 169.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -44.2 -59.23 2.45 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.327 1.451 . . . . 0.0 111.258 -175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.25 -49.02 78.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 117.642 -1.17 . . . . 0.0 110.137 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -58.47 5.48 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.044 175.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 HG11 ' A' ' 18' ' ' VAL . 13.3 mt -58.64 -41.38 85.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.071 1.76 . . . . 0.0 111.151 -174.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -56.05 -49.99 72.21 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.519 0.727 . . . . 0.0 109.836 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -45.69 16.63 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.779 0.832 . . . . 0.0 110.353 -169.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.6 mt -51.77 -57.72 8.46 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 126.33 1.852 . . . . 0.0 107.923 172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -38.87 92.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -41.28 -50.56 4.51 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.642 1.591 . . . . 0.0 111.887 168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.445 ' HB3' HD13 ' A' ' 118' ' ' LEU . 9.6 mmp_? -79.36 -51.44 9.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.675 1.59 . . . . 0.0 111.298 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.6 mm -54.02 -44.4 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.872 1.669 . . . . 0.0 109.556 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.3 m -56.37 -30.25 62.46 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -77.81 -64.14 1.22 Allowed 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 117.422 -1.275 . . . . 0.0 107.616 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 52.59 108.9 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.271 1.828 . . . . 0.0 110.371 -159.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.51 145.54 38.87 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 175.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -56.64 -31.82 64.75 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -65.17 -62.86 1.29 Allowed 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.443 -170.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 154.35 166.12 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.783 1 C-N-CA 133.025 4.53 . . . . 0.0 105.453 -170.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 109' ' ' ARG . 5.3 mt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 115.941 -1.981 . . . . 0.0 112.958 -153.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 117.241 -1.362 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.29 25.0 t 67.17 120.45 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.885 1.674 . . . . 0.0 110.359 171.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -67.59 118.45 10.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.903 -1.123 . . . . 0.0 108.972 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m80 63.18 167.36 0.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.693 2.397 . . . . 0.0 112.365 -165.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.08 -72.79 0.39 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.19 -166.39 12.19 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.2 -33.33 75.24 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.528 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -136.74 163.86 29.63 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.49 1.116 . . . . 0.0 109.841 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -91.36 -34.48 14.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.511 0.724 . . . . 0.0 109.19 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -154.24 116.15 4.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.69 17.44 16.48 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.354 0.525 . . . . 0.0 112.218 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 73.68 6.32 4.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.553 1.541 . . . . 0.0 110.868 -172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.16 -78.34 0.58 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 125.543 1.537 . . . . 0.0 110.328 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -93.44 59.25 2.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -172.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' ' HD2' ' A' ' 16' ' ' PRO . 1.6 mm-40 -161.91 -48.74 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.359 0 C-N-CA 125.29 1.436 . . . . 0.0 110.536 168.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD2' ' H ' ' A' ' 15' ' ' GLU . 36.8 Cg_endo -70.23 177.47 5.87 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 CA-C-N 121.052 1.411 . . . . 0.0 111.292 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -74.72 -11.38 60.16 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.143 -163.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.01 -51.25 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 126.054 1.741 . . . . 0.0 112.65 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -30.08 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.328 -0.857 . . . . 0.0 110.707 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.72 -40.14 80.06 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.361 1.064 . . . . 0.0 110.226 173.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.69 -37.61 79.3 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.366 1.466 . . . . 0.0 109.971 173.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -46.98 81.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.888 1.222 . . . . 0.0 109.986 171.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.51 -52.81 43.71 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 124.935 1.294 . . . . 0.0 111.915 -176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.31 -1.52 51.18 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.348 1.059 . . . . 0.0 113.485 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -58.68 -27.75 65.12 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 120.62 1.555 . . . . 0.0 110.764 164.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.89 -32.2 65.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.824 1.193 . . . . 0.0 111.241 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -100.76 9.02 42.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.908 2.083 . . . . 0.0 112.566 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.36 -90.68 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.446 1.021 . . . . 0.0 111.665 -173.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.505 ' H ' HD22 ' A' ' 30' ' ' LEU . 25.6 t-20 -165.77 48.46 0.08 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.338 0.972 . . . . 0.0 109.473 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 29' ' ' ASN . 3.0 mm? -98.11 136.36 38.46 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.513 HG21 ' H ' ' A' ' 116' ' ' ASN . 41.7 p -59.79 159.5 8.79 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.24 -24.99 58.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.929 1.241 . . . . 0.0 112.325 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -54.94 5.33 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.983 1.313 . . . . 0.0 110.53 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' HG3' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -56.52 -43.79 80.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 176.134 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.29 -55.85 29.37 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.561 1.944 . . . . 0.0 110.128 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.55 -32.4 71.46 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.586 -1.321 . . . . 0.0 110.229 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.64 67.95 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 119.118 0.872 . . . . 0.0 111.671 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -52.27 -48.08 65.49 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.654 2.381 . . . . 0.0 107.841 177.39 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.52 -45.1 80.63 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -65.04 -50.83 64.7 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 118.193 0.451 . . . . 0.0 111.036 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.12 -32.97 72.65 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.19 -34.56 66.04 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.23 173.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -60.4 -43.19 96.91 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 120.768 1.622 . . . . 0.0 108.402 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -62.49 -42.97 99.86 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.136 171.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -67.51 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.173 1.789 . . . . 0.0 111.09 177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -46.71 61.78 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 127.16 2.184 . . . . 0.0 108.496 -176.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.76 84.06 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 118.566 -1.254 . . . . 0.0 111.68 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.72 -51.89 67.08 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.66 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.258 8.7 tt -70.04 -31.53 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 110.653 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.71 -36.02 79.84 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.642 1.11 . . . . 0.0 112.257 169.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -70.05 -35.6 74.38 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 119.898 -1.751 . . . . 0.0 111.179 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' CD2' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -54.37 -47.77 72.24 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 117.131 -1.414 . . . . 0.0 110.654 166.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.79 -51.7 54.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 119.718 1.144 . . . . 0.0 109.801 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -59.89 -43.93 94.53 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.98 -55.78 17.05 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.685 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -63.07 -29.18 70.61 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.488 1.04 . . . . 0.0 111.316 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.53 -46.59 31.23 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.944 175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -56.14 -35.35 67.05 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.669 171.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 tp -63.51 -44.21 94.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.726 1.21 . . . . 0.0 109.519 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -55.31 35.16 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.971 1.309 . . . . 0.0 111.428 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.9 mt -58.32 -51.25 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.851 1.26 . . . . 0.0 108.58 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.06 76.47 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 117.76 -1.114 . . . . 0.0 111.175 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -66.96 -48.02 69.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.44 -54.46 40.54 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.999 0.904 . . . . 0.0 110.048 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -69.32 -22.78 63.75 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 117.213 -1.375 . . . . 0.0 112.818 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.52 -57.55 5.08 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 121.11 1.777 . . . . 0.0 108.326 171.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -50.59 -40.91 53.74 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.207 1.367 . . . . 0.0 110.053 -178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -65.23 -49.93 67.77 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.218 0.607 . . . . 0.0 111.105 175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -62.24 -28.88 70.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.949 1.3 . . . . 0.0 113.507 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -66.44 -23.23 66.26 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.219 -1.551 . . . . 0.0 109.571 173.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 m -83.66 -2.07 55.35 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.177 170.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 69' ' ' ALA . 4.7 m -98.49 -15.86 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-N 120.337 1.426 . . . . 0.0 111.836 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.78 6.14 58.76 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.565 1.555 . . . . 0.0 116.129 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 72' ' ' VAL . 20.4 t0 -70.16 88.08 0.6 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.026 1.331 . . . . 0.0 108.292 171.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.28 71.22 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 121.793 -0.567 . . . . 0.0 112.412 -174.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.37 -54.87 42.09 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.252 1.021 . . . . 0.0 109.694 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -66.73 -38.04 85.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.46 -45.35 93.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 C-N-CA 123.936 0.895 . . . . 0.0 109.56 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 m -64.24 -50.75 66.78 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.518 1.127 . . . . 0.0 111.481 175.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -63.55 -37.45 87.34 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.43 -1.419 . . . . 0.0 111.621 -178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.4 m -54.15 -55.82 24.1 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.781 167.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -58.49 -34.76 71.26 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.703 1.138 . . . . 0.0 112.449 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.78 -55.05 22.14 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 126.148 1.779 . . . . 0.0 108.723 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' HD2' HD13 ' A' ' 88' ' ' LEU . 18.9 tptt -68.79 -29.63 68.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.829 177.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -61.38 -57.28 12.89 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.645 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.44 14.99 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.623 0.647 . . . . 0.0 109.874 171.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -57.82 -43.98 86.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -174.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.4 -47.24 86.69 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 127.156 2.183 . . . . 0.0 112.782 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.98 -42.26 86.41 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 174.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -43.8 80.89 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 117.688 -1.149 . . . . 0.0 111.421 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.5 p -64.63 -40.61 95.76 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.855 1.661 . . . . 0.0 109.53 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -55.48 -60.06 3.95 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.336 0.971 . . . . 0.0 112.226 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.76 -46.71 89.41 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 118.67 0.668 . . . . 0.0 110.094 -176.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 52' ' ' HIS . 2.3 tm? -58.58 -45.15 89.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 118.128 -0.939 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.35 -53.44 28.12 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 119.415 1.007 . . . . 0.0 110.978 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -48.14 69.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.226 0.61 . . . . 0.0 111.415 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.6 m -63.89 -47.12 81.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.695 1.198 . . . . 0.0 109.919 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.79 -60.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-O 116.632 -1.652 . . . . 0.0 107.308 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -55.9 -41.85 75.1 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.704 1.593 . . . . 0.0 111.325 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.56 -57.78 11.2 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 119.339 0.972 . . . . 0.0 109.153 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -26.6 68.57 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.031 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.34 -56.31 23.8 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 127.473 2.309 . . . . 0.0 109.064 173.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -62.03 -38.46 88.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.549 1.14 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -62.42 1.87 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.858 1.263 . . . . 0.0 108.751 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.77 -56.1 20.46 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 126.4 1.88 . . . . 0.0 109.363 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -58.35 -44.59 88.83 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 121.179 -0.951 . . . . 0.0 111.207 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.76 49.19 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 119.147 0.885 . . . . 0.0 111.389 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' HD23 ' A' ' 118' ' ' LEU . 23.5 mmt180 -76.44 -64.78 1.03 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.554 2.342 . . . . 0.0 108.94 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.3 -27.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 119.819 -1.801 . . . . 0.0 112.104 -170.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.9 m -66.3 -10.63 44.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 119.306 -0.958 . . . . 0.0 111.999 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -85.12 -61.92 1.66 Allowed 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.344 -1.472 . . . . 0.0 110.549 151.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' A' ' 118' ' ' LEU . . . 46.16 72.58 0.22 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.392 1.077 . . . . 0.0 109.704 -155.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -77.67 178.67 7.13 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.773 0.32 . . . . 0.0 110.2 174.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -84.45 158.82 20.92 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.513 ' H ' HG21 ' A' ' 31' ' ' THR . 83.8 m-20 50.38 62.02 2.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.397 2.679 . . . . 0.0 112.378 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.266 0.9 OUTLIER 53.86 177.7 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.857 2.463 . . . . 0.0 111.159 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.496 HD13 ' HG3' ' A' ' 34' ' ' GLU . 5.1 mp . . . . . 0 C--O 1.253 1.254 0 O-C-N 119.018 -2.301 . . . . 0.0 114.18 -147.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -48.81 157.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.14 0.976 . . . . 0.0 111.464 168.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -61.5 -51.95 66.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 160.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 50.26 90.94 0.02 OUTLIER 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.284 1.434 . . . . 0.0 107.548 -158.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -131.09 -80.68 0.53 Allowed 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 166.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.81 174.82 42.96 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -166.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -165.73 -68.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 160.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 150.73 3.71 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 128.684 2.794 . . . . 0.0 107.958 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t 168.69 -60.14 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.14 2.976 . . . . 0.0 106.409 -176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.79 89.94 0.83 Allowed 'General case' 0 C--O 1.233 0.233 0 C-N-CA 128.983 2.913 . . . . 0.0 104.573 166.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.44 177.68 0.11 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.43 2.292 . . . . 0.0 114.648 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -132.47 28.07 4.36 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.759 2.424 . . . . 0.0 108.755 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 103' ' ' LEU . 74.2 m-85 -78.07 78.64 4.55 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 167.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.87 -52.56 4.02 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.331 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -164.36 57.98 0.6 Allowed Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 127.626 2.37 . . . . 0.0 107.292 167.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.34 -175.67 1.13 Allowed 'Trans proline' 0 N--CA 1.454 -0.807 0 CA-C-N 120.888 1.353 . . . . 0.0 110.682 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -57.61 -12.94 3.19 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.026 1.731 . . . . 0.0 113.847 -175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.52 -43.3 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 126.827 2.051 . . . . 0.0 111.008 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.627 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 31.7 mm -66.94 -42.61 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.88 1.272 . . . . 0.0 108.726 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.04 -46.99 81.98 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 125.425 1.49 . . . . 0.0 109.875 172.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -35.75 68.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' CD2' HD11 ' A' ' 42' ' ' LEU . 38.2 m0 -74.96 -32.89 61.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.043 0.838 . . . . 0.0 112.706 173.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.49 -43.41 71.75 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.882 1.673 . . . . 0.0 110.272 175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.296 0.2 OUTLIER -102.76 2.06 35.12 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 173.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.34 77.4 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 120.399 1.454 . . . . 0.0 109.671 159.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -49.36 -23.01 1.27 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.086 2.154 . . . . 0.0 115.11 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 m -147.69 38.03 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.219 1.007 . . . . 0.0 110.23 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -66.93 0.46 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.45 -0.781 . . . . 0.0 111.494 -176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -177.33 26.91 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.345 1.858 . . . . 0.0 112.223 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.72 -167.55 1.91 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.808 -1.183 . . . . 0.0 110.724 -163.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.3 p -107.74 162.25 14.15 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.762 0.825 . . . . 0.0 108.791 179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.01 -26.05 67.35 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.018 0.826 . . . . 0.0 113.018 -173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -53.85 7.21 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.12 -46.67 68.87 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 123.942 0.776 . . . . 0.0 108.939 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.74 -50.52 73.5 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 123.75 0.82 . . . . 0.0 109.833 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -53.29 -47.99 68.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.481 1.037 . . . . 0.0 110.608 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.74 70.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.467 -174.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -49.66 74.78 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 171.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -46.0 82.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 124.244 1.018 . . . . 0.0 108.91 -176.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.8 -48.0 70.34 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -53.48 -39.98 64.96 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.707 1.203 . . . . 0.0 110.288 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 22' ' ' TRP . 4.2 mm? -73.81 -38.7 64.5 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.352 1.061 . . . . 0.0 110.237 -176.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -58.14 -41.44 83.71 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.377 1.071 . . . . 0.0 110.433 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -58.28 -54.08 51.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.424 168.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -55.64 -56.14 23.88 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.435 0.694 . . . . 0.0 109.397 -174.329 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -42.9 99.81 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -171.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.55 69.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.063 1.411 . . . . 0.0 111.544 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -48.83 80.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.45 -1.262 . . . . 0.0 110.001 -178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.0 tp -68.27 -37.34 77.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-O 117.337 -1.315 . . . . 0.0 108.952 -176.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -63.15 -33.44 75.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.972 1.715 . . . . 0.0 111.545 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -69.51 -49.31 55.76 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 121.241 -0.912 . . . . 0.0 110.159 173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -49.23 52.97 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 124.57 1.148 . . . . 0.0 109.983 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -52.01 -50.48 61.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 127.685 2.394 . . . . 0.0 110.652 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -57.62 -45.28 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -62.38 -59.52 4.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.015 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.98 -32.89 48.81 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.531 1.514 . . . . 0.0 110.93 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -72.13 -51.86 19.43 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -62.45 -18.14 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.509 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -52.68 13.5 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 125.559 1.544 . . . . 0.0 109.492 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.02 -51.88 66.21 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.958 0.786 . . . . 0.0 109.508 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.54 -45.83 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 123.456 0.702 . . . . 0.0 109.19 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.39 90.59 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 117.439 -1.267 . . . . 0.0 111.615 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -68.19 -39.34 82.5 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.782 1.173 . . . . 0.0 109.591 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.28 5.69 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 123.843 0.857 . . . . 0.0 110.545 173.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -65.56 -26.1 67.72 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.515 -0.74 . . . . 0.0 111.948 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.23 -62.28 1.8 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -31.51 65.63 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.19 0.904 . . . . 0.0 110.033 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -68.31 -42.03 79.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.251 0.621 . . . . 0.0 111.383 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.25 -12.27 38.45 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 124.9 1.28 . . . . 0.0 112.912 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.34 -19.97 66.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.097 1.771 . . . . 0.0 108.872 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.9 m -77.07 6.07 7.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.255 1.022 . . . . 0.0 112.796 172.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.71 114.98 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 120.8 1.636 . . . . 0.0 107.785 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -24.57 -72.84 0.02 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 128.114 2.768 . . . . 0.0 113.916 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.1 t70 54.4 -54.44 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 130.554 3.542 . . . . 0.0 117.238 168.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.09 -65.49 4.05 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 126.121 1.819 . . . . 0.0 109.955 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.86 -31.65 72.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.942 1.371 . . . . 0.0 112.033 -171.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -64.75 -54.17 35.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 117.584 -1.198 . . . . 0.0 109.746 168.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.12 -53.2 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.429 1.492 . . . . 0.0 108.963 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 m -53.32 -68.66 0.16 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 127.591 2.357 . . . . 0.0 111.073 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -58.48 -35.64 72.51 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.166 0.893 . . . . 0.0 111.178 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.2 m -54.48 -60.07 3.84 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.791 0.836 . . . . 0.0 110.514 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -65.18 -36.4 84.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.61 1.095 . . . . 0.0 111.817 -174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.56 -57.48 12.57 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 108.403 -176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -73.77 -25.01 59.94 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.701 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -63.06 -52.15 63.87 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 119.227 0.922 . . . . 0.0 108.808 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.5 93.77 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 123.964 0.906 . . . . 0.0 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -53.71 -56.94 12.96 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.293 0.497 . . . . 0.0 110.043 170.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.36 -48.95 79.54 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.443 -170.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.69 -45.25 73.92 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.508 1.923 . . . . 0.0 109.363 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.46 -51.26 38.21 Favored Glycine 0 CA--C 1.522 0.53 0 CA-C-O 119.245 -0.753 . . . . 0.0 111.457 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -42.17 67.49 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 116.881 -1.533 . . . . 0.0 111.907 -178.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.8 p -58.35 -46.07 86.97 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 120.833 1.652 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -54.49 -57.76 10.08 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.136 0.975 . . . . 0.0 111.682 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.5 -37.55 70.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.933 0.788 . . . . 0.0 111.306 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -79.47 -36.71 38.32 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.952 -1.092 . . . . 0.0 110.642 -171.161 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.59 -42.0 97.57 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.286 0.948 . . . . 0.0 111.002 169.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -55.79 -49.94 71.83 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.793 0.837 . . . . 0.0 110.067 171.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -62.58 -46.38 88.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.076 0.95 . . . . 0.0 110.461 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 ' HA ' ' CE1' ' A' ' 102' ' ' HIS . 54.3 t -54.68 -49.74 65.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 C-N-CA 124.194 0.998 . . . . 0.0 108.977 173.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -59.34 -41.29 88.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.989 1.268 . . . . 0.0 111.716 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -63.54 -61.55 2.25 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.551 -0.718 . . . . 0.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -58.17 -31.45 67.27 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.535 -178.152 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 13' ' ' PHE . 5.2 mt -66.74 -43.62 83.67 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 120.296 1.407 . . . . 0.0 111.081 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.78 -31.64 72.96 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.983 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.17 -53.83 7.71 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 122.033 0.92 . . . . 0.0 111.403 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 mt -54.87 -43.92 73.59 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 128.204 2.602 . . . . 0.0 110.852 172.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t -80.85 -19.63 44.12 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.817 -1.177 . . . . 0.0 110.897 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.69 -44.28 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 119.866 1.212 . . . . 0.0 110.554 160.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 118' ' ' LEU . 10.5 mpt_? -63.86 -77.79 0.05 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 123.946 0.898 . . . . 0.0 108.894 169.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.69 -21.24 28.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 128.802 2.841 . . . . 0.0 112.61 -159.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.1 t -64.46 -70.55 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 114' ' ' ARG . 0.0 OUTLIER -62.94 -53.12 59.03 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.973 1.709 . . . . 0.0 110.549 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.622 ' HA ' HD22 ' A' ' 118' ' ' LEU . . . 65.51 39.35 5.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.317 2.647 . . . . 0.0 113.284 -174.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' CA ' ' HB2' ' A' ' 118' ' ' LEU . 76.1 mtt180 -140.74 171.8 13.59 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.926 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 62.3 t60 97.48 -100.46 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.505 1 C-N-CA 134.616 5.166 . . . . 0.0 113.781 174.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 108.45 19.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 -167.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 94.8 -65.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 130.98 3.712 . . . . 0.0 107.353 -161.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.075 0 C-N-CA 125.379 1.471 . . . . 0.0 110.941 -161.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.8 t -135.5 91.98 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 103.235 -2.876 . . . . 0.0 103.235 -172.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t 57.54 168.31 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.913 2.085 . . . . 0.0 113.029 -161.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 154.43 94.27 0.0 OUTLIER 'General case' 0 C--O 1.234 0.27 1 C-N-CA 133.018 4.527 . . . . 0.0 104.703 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.56 -56.11 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.518 1.527 . . . . 0.0 109.437 169.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.54 95.78 0.39 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 108.872 -1.691 . . . . 0.0 108.872 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -142.45 174.05 10.98 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.956 0.903 . . . . 0.0 111.042 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t 61.39 173.79 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.352 1.861 . . . . 0.0 111.714 -174.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 t -75.72 -22.2 56.82 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.287 167.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -158.31 113.88 2.68 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.8 77.73 1.11 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.841 0.457 . . . . 0.0 111.825 167.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.67 26.3 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.107 0.963 . . . . 0.0 110.854 162.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.46 -105.23 0.23 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 61.68 61.31 1.46 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 122.876 1.322 . . . . 0.0 112.571 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 33.64 65.3 1.4 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.896 2.078 . . . . 0.0 113.781 -167.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HG2' HG22 ' A' ' 18' ' ' VAL . 20.2 Cg_endo -83.2 -171.74 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.653 2.902 . . . . 0.0 109.244 176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -50.54 -19.34 0.86 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 103' ' ' LEU . 13.3 m -59.83 -41.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 120.775 -1.203 . . . . 0.0 110.978 174.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.4 mm -67.94 -34.45 67.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 C-N-CA 124.007 0.923 . . . . 0.0 108.913 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.48 -39.35 93.64 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 123.335 0.654 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -49.18 71.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.188 0.595 . . . . 0.0 111.44 172.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -41.97 84.3 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 123.183 0.302 . . . . 0.0 110.504 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.93 -48.45 75.71 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.073 1.749 . . . . 0.0 111.104 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.87 36.06 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 117.078 -1.439 . . . . 0.0 110.726 178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.68 -35.71 43.67 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.78 1.173 . . . . 0.0 110.93 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -52.5 -19.15 2.05 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.442 1.497 . . . . 0.0 114.085 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 m -150.52 36.52 0.65 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.55 1.523 . . . . 0.0 111.624 162.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.37 -77.62 0.07 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 119.642 1.11 . . . . 0.0 110.144 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.746 ' H ' HD12 ' A' ' 30' ' ' LEU . 35.3 t30 -166.74 64.14 0.09 Allowed 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.904 1.682 . . . . 0.0 107.986 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD12 ' H ' ' A' ' 29' ' ' ASN . 4.2 mp -111.55 -138.26 0.38 Allowed 'General case' 0 C--O 1.237 0.415 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 -172.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.73 158.74 43.78 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 123.91 0.884 . . . . 0.0 110.04 -170.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -63.36 -53.17 56.68 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.895 1.225 . . . . 0.0 112.47 -167.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -72.02 -37.35 69.78 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.056 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -53.55 -55.34 26.42 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 125.425 1.703 . . . . 0.0 107.761 171.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.7 tm? -60.22 -44.04 95.5 Favored 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 124.288 1.035 . . . . 0.0 109.479 -172.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.14 -39.48 86.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 119.862 1.21 . . . . 0.0 111.429 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.98 68.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.277 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -42.56 82.42 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 125.368 1.467 . . . . 0.0 107.934 173.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -46.19 85.83 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 121.536 1.971 . . . . 0.0 107.941 -173.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.27 -55.37 16.41 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 124.812 1.32 . . . . 0.0 111.099 178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.286 19.0 pt-20 -58.63 -31.5 68.17 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.993 1.27 . . . . 0.0 112.487 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.95 -42.62 66.38 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 124.751 1.22 . . . . 0.0 111.723 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.52 -36.51 76.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 120.406 1.457 . . . . 0.0 110.251 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -67.66 -40.21 84.5 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.061 -1.024 . . . . 0.0 109.859 173.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.89 -57.76 11.3 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 126.414 1.885 . . . . 0.0 111.81 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -44.54 94.28 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 127.733 2.413 . . . . 0.0 109.345 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.25 93.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 119.059 -1.056 . . . . 0.0 110.382 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -55.69 31.36 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 120.824 -1.173 . . . . 0.0 111.867 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.0 tp -61.69 -35.25 66.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.971 0.805 . . . . 0.0 109.813 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.62 -32.44 73.77 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.176 0.898 . . . . 0.0 111.664 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -75.71 -33.65 60.32 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 120.712 -1.242 . . . . 0.0 112.038 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -54.29 -58.14 8.53 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 166.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -45.58 -48.28 14.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.533 1.533 . . . . 0.0 112.23 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.99 -46.81 87.59 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.652 0.66 . . . . 0.0 109.598 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.9 m-30 -64.43 -52.86 55.99 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.099 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.01 79.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 120.314 1.415 . . . . 0.0 110.334 -175.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.16 -55.99 27.92 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -53.88 -35.58 61.73 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.205 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -56.47 15.65 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 127.339 2.256 . . . . 0.0 110.333 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -60.63 -45.45 94.0 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 123.671 0.788 . . . . 0.0 109.696 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.34 -46.53 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.647 0.737 . . . . 0.0 109.017 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.27 -28.92 70.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 117.918 -1.039 . . . . 0.0 112.04 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -73.84 -39.9 63.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.404 1.002 . . . . 0.0 109.328 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -56.21 -53.07 61.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.72 0.691 . . . . 0.0 109.209 169.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -42.3 89.61 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -55.9 -59.99 4.1 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.633 1.573 . . . . 0.0 109.363 175.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.9 mtp-105 -54.62 -38.44 66.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 119.582 1.083 . . . . 0.0 110.142 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -40.0 90.24 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.5 -21.14 32.87 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 125.172 1.389 . . . . 0.0 113.57 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.09 -16.28 63.95 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 120.635 1.561 . . . . 0.0 110.095 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -76.86 -0.01 22.47 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.29 -0.862 . . . . 0.0 113.182 171.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.256 7.4 p -118.65 103.65 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 120.404 1.457 . . . . 0.0 108.325 176.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -35.97 -33.63 0.06 OUTLIER Glycine 0 CA--C 1.526 0.766 0 C-N-CA 130.356 3.836 . . . . 0.0 116.911 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.21 71.15 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.343 1.857 . . . . 0.0 108.736 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.54 16.42 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.743 1.639 . . . . 0.0 116.275 -153.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.31 -47.75 65.79 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 119.953 1.876 . . . . 0.0 111.771 -176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -74.37 -20.43 60.08 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.009 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.54 -47.22 66.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.593 1.088 . . . . 0.0 109.604 -167.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -58.02 -49.8 75.61 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.383 -0.823 . . . . 0.0 110.538 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -66.15 -30.61 71.13 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.549 -0.72 . . . . 0.0 111.364 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.0 m -55.1 -64.49 0.82 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.57 165.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -61.59 -33.42 73.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.786 1.175 . . . . 0.0 112.08 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.72 -56.78 14.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.339 1.456 . . . . 0.0 109.22 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -69.65 -27.28 64.92 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.053 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -60.17 -54.52 44.83 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.44 90.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.462 1.105 . . . . 0.0 112.458 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -57.3 12.19 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.434 0.694 . . . . 0.0 109.243 170.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -54.02 51.5 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 117.21 -1.376 . . . . 0.0 109.875 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -54.34 48.01 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 125.789 1.636 . . . . 0.0 110.187 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.15 -41.36 99.45 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.859 -174.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -46.72 88.02 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 116.003 -1.951 . . . . 0.0 110.808 169.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 p -62.19 -50.04 73.41 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 122.591 2.451 . . . . 0.0 112.045 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -43.46 87.47 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 119.642 1.11 . . . . 0.0 110.977 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.56 -30.99 68.91 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 119.732 -0.787 . . . . 0.0 111.206 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.95 -39.69 83.39 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 120.508 -1.37 . . . . 0.0 110.402 175.096 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.99 -44.26 87.96 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -45.67 90.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.729 0.765 . . . . 0.0 111.996 171.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -60.46 -60.11 4.33 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.142 1.777 . . . . 0.0 108.769 -175.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.402 HG23 HD13 ' A' ' 95' ' ' LEU . 28.0 t -47.09 -61.68 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.64 0 C-N-CA 127.078 2.151 . . . . 0.0 107.165 173.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -55.37 -44.29 75.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.879 1.672 . . . . 0.0 113.019 -173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -60.16 -54.81 41.39 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 118.913 0.779 . . . . 0.0 108.963 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.587 ' CD2' HD13 ' A' ' 106' ' ' LEU . 4.2 t-160 -61.36 -31.87 71.76 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.133 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 18' ' ' VAL . 3.7 tp -58.26 -54.32 48.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 127.333 2.253 . . . . 0.0 108.754 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -33.15 69.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.188 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -65.21 -52.0 57.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 118.087 0.403 . . . . 0.0 110.769 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.587 HD13 ' CD2' ' A' ' 102' ' ' HIS . 3.7 mp -51.39 -53.71 33.77 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.127 1.371 . . . . 0.0 109.196 171.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -23.65 66.23 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.13 -40.92 33.23 Favored Glycine 0 CA--C 1.527 0.804 0 CA-C-N 120.237 1.38 . . . . 0.0 111.372 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HB3' HD23 ' A' ' 118' ' ' LEU . 26.1 mtt85 -79.42 -53.27 7.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.676 1.238 . . . . 0.0 110.958 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 18.8 mm -54.95 -51.16 56.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 125.433 1.493 . . . . 0.0 108.657 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -55.02 -39.78 69.48 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.488 -0.758 . . . . 0.0 111.729 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -65.53 -51.18 61.85 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 117.658 -1.163 . . . . 0.0 111.374 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 44.29 78.52 0.06 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.752 2.021 . . . . 0.0 111.616 -167.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -74.95 3.16 8.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.419 1.488 . . . . 0.0 113.776 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 72.29 -42.2 0.53 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 128.825 2.85 . . . . 0.0 114.339 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -58.54 165.34 2.2 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 157.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.56 164.65 1.89 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.541 0.686 . . . . 0.0 110.288 164.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.426 HD23 ' HB3' ' A' ' 109' ' ' ARG . 3.6 mp . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.256 1.822 . . . . 0.0 107.898 -154.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 . . . . . 0 N--CA 1.464 0.268 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.8 137.54 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 125.191 1.396 . . . . 0.0 108.106 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 66.03 98.55 0.05 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.87 1.268 . . . . 0.0 109.201 -152.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -128.97 144.61 51.24 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 156.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 59.78 179.99 0.09 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.03 1.332 . . . . 0.0 111.183 -170.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.84 162.86 30.64 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 107.169 -2.372 . . . . 0.0 107.169 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 69.64 150.62 0.09 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.176 1.39 . . . . 0.0 107.361 -130.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -151.03 141.57 22.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 9' ' ' THR . 1.4 t -60.68 -33.09 72.33 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.965 1.706 . . . . 0.0 112.279 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.51 34.95 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 126.688 1.995 . . . . 0.0 114.951 175.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.75 167.52 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.087 -1.008 . . . . 0.0 112.286 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -149.26 32.31 0.74 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 128.471 2.709 . . . . 0.0 107.392 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.31 -82.43 0.59 Allowed 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -170.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 66.31 -94.81 0.04 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.294 1.838 . . . . 0.0 108.117 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.39 78.41 74.35 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 161.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.84 -85.28 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.681 2.254 . . . . 0.0 107.871 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -139.15 -0.73 1.81 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.982 1.713 . . . . 0.0 112.476 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG21 ' HG ' ' A' ' 103' ' ' LEU . 12.9 m -79.16 -48.73 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.812 -1.18 . . . . 0.0 109.337 -175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' CZ3' ' A' ' 22' ' ' TRP . 20.9 mm -55.51 -40.03 56.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 C-N-CA 124.436 1.095 . . . . 0.0 109.543 170.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.63 -46.21 90.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 119.107 0.867 . . . . 0.0 109.189 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -45.53 62.42 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.962 -0.461 . . . . 0.0 111.989 171.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.544 ' HH2' HD12 ' A' ' 103' ' ' LEU . 16.2 m0 -74.58 -14.5 60.79 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -63.54 -66.5 0.53 Allowed 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 166.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -18.3 60.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 118.976 -1.089 . . . . 0.0 110.133 -167.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.77 -42.25 16.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.268 1.027 . . . . 0.0 111.56 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.93 0.44 1.21 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -144.56 11.68 1.47 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.584 1.083 . . . . 0.0 111.352 167.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.0 -58.19 4.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.187 0.903 . . . . 0.0 112.017 -163.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -175.04 16.12 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.64 1.176 . . . . 0.0 112.915 -175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 113' ' ' ALA . 0.8 OUTLIER -102.24 -169.61 1.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 120.503 -1.373 . . . . 0.0 110.928 -157.192 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 34' ' ' GLU . 2.4 p -108.61 161.37 15.14 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.709 0.403 . . . . 0.0 110.363 -174.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.41 -31.28 68.42 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.669 -1.269 . . . . 0.0 112.739 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -47.53 47.54 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.232 -0.918 . . . . 0.0 110.215 174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -58.84 -38.7 79.3 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 124.393 1.058 . . . . 0.0 108.82 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.15 -66.92 0.4 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.765 1.626 . . . . 0.0 109.591 174.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -56.94 -34.36 67.92 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 121.057 1.753 . . . . 0.0 111.821 -173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.77 -54.46 44.93 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.146 0.578 . . . . 0.0 110.606 173.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -36.15 67.11 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.065 173.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -70.12 -46.85 63.95 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 119.668 1.122 . . . . 0.0 108.606 -168.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.1 -39.88 71.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.703 178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -58.38 -52.95 63.44 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.287 0.635 . . . . 0.0 110.345 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.5 -35.77 80.41 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 125.132 1.373 . . . . 0.0 110.427 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -65.27 -39.8 93.08 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 119.869 1.213 . . . . 0.0 110.535 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -64.34 -42.02 96.46 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.814 -1.179 . . . . 0.0 110.91 172.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -60.18 -54.7 42.72 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.713 1.205 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -61.63 -45.12 95.42 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 125.198 1.399 . . . . 0.0 107.745 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.51 -36.9 79.49 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.296 0.498 . . . . 0.0 112.054 175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 52.0 mttt -60.22 -57.16 13.99 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 120.764 -1.21 . . . . 0.0 111.258 173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.8 tp -62.44 -36.11 73.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.922 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.38 -46.68 83.16 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.917 1.235 . . . . 0.0 111.37 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 48' ' ' LYS . 39.3 mtmt -63.61 -44.16 94.76 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.326 -0.859 . . . . 0.0 111.152 177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -51.85 -51.47 56.41 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.163 170.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -47.43 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 127.269 2.228 . . . . 0.0 109.708 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -64.92 -39.74 93.98 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.512 0.672 . . . . 0.0 110.531 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CE2' ' HG2' ' A' ' 91' ' ' ARG . 4.6 m-30 -67.16 -55.7 13.04 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 115.707 -2.092 . . . . 0.0 111.21 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.38 -39.2 64.04 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 120.276 1.398 . . . . 0.0 110.389 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -64.25 -52.29 59.44 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.076 -1.015 . . . . 0.0 110.131 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -64.21 -16.5 62.13 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-O 116.811 -1.566 . . . . 0.0 112.56 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -54.31 9.75 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 121.209 1.822 . . . . 0.0 108.613 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -48.49 78.72 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.1 0.96 . . . . 0.0 109.473 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.4 mt -69.81 -37.57 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -26.88 68.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.576 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -76.09 -45.65 32.89 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 120.279 1.399 . . . . 0.0 109.534 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -60.01 -44.2 94.74 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.067 173.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.43 -35.08 74.96 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.343 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -60.2 4.19 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 120.722 1.601 . . . . 0.0 108.457 178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -60.27 -36.32 77.54 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.947 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -65.81 -32.95 74.77 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.0 111.516 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.14 -34.22 49.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.784 1.234 . . . . 0.0 111.5 175.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.86 -32.22 73.67 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.019 0.827 . . . . 0.0 109.593 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.6 m -61.97 -10.22 9.14 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 173.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.49 -27.99 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 119.982 1.265 . . . . 0.0 110.632 174.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.51 -50.15 4.17 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 119.422 1.01 . . . . 0.0 112.041 -169.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.529 ' CG ' HH12 ' A' ' 77' ' ' ARG . 31.1 t0 -57.78 108.74 0.61 Allowed 'General case' 0 C--O 1.241 0.656 0 CA-C-O 122.398 1.094 . . . . 0.0 109.912 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.44 -18.81 65.98 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-O 117.892 -1.505 . . . . 0.0 115.082 -171.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.29 -30.5 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 121.133 2.466 . . . . 0.0 111.959 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -81.38 -34.0 31.96 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 120.748 -1.22 . . . . 0.0 111.444 171.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.04 -55.1 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 124.665 1.186 . . . . 0.0 108.619 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.7 m -50.03 -57.47 7.52 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.833 1.653 . . . . 0.0 109.917 176.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -41.29 83.16 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.052 0.387 . . . . 0.0 110.941 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -59.67 -56.44 21.8 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -61.27 -29.41 69.84 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.821 0.848 . . . . 0.0 112.673 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.44 -62.26 1.71 Allowed 'General case' 0 C--O 1.24 0.603 0 C-N-CA 126.475 1.91 . . . . 0.0 108.312 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD2' HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -70.39 -26.02 63.51 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-O 117.456 -1.259 . . . . 0.0 110.303 -176.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -57.04 -60.18 3.97 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 119.354 0.979 . . . . 0.0 109.039 171.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.94 90.51 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.8 0.44 . . . . 0.0 111.568 -173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 84' ' ' LYS . 1.3 tp -55.1 -57.89 9.89 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 122.989 0.516 . . . . 0.0 110.136 170.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 HD13 ' HD2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -52.57 -56.63 13.95 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-O 117.611 -1.185 . . . . 0.0 108.589 -177.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -50.65 -46.92 58.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 127.391 2.276 . . . . 0.0 110.924 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.68 -42.78 98.58 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 119.047 -0.863 . . . . 0.0 112.299 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -68.98 -36.83 78.31 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 117.334 -1.317 . . . . 0.0 112.079 171.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -67.17 -44.3 80.04 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 121.985 2.175 . . . . 0.0 109.437 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -59.39 -50.36 74.24 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.184 173.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -47.62 -58.65 4.01 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -72.42 -34.53 67.9 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 118.62 -0.705 . . . . 0.0 111.385 -166.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.09 -49.4 67.69 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 170.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -47.51 79.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.751 -0.852 . . . . 0.0 110.469 174.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.9 m -58.31 -51.98 67.51 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.442 1.097 . . . . 0.0 109.51 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.6 t -48.4 -55.9 2.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.517 0 C-N-CA 126.981 2.112 . . . . 0.0 108.141 173.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -64.16 -38.89 92.67 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.894 1.224 . . . . 0.0 111.841 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -63.96 -50.16 69.69 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 120.223 -1.548 . . . . 0.0 109.533 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -59.43 -32.07 69.86 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.673 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.544 HD12 ' HH2' ' A' ' 22' ' ' TRP . 5.2 mp -61.74 -49.54 76.0 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 120.531 1.514 . . . . 0.0 110.02 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -63.24 -32.54 73.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.446 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -62.06 1.53 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 119.081 0.855 . . . . 0.0 110.179 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -52.93 -49.17 66.55 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.356 2.263 . . . . 0.0 110.219 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.4 t -68.57 -39.47 80.98 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.333 -0.855 . . . . 0.0 109.698 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -33.64 71.24 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-N 119.642 1.11 . . . . 0.0 112.233 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -70.09 -75.98 0.11 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.703 2.001 . . . . 0.0 107.576 172.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.51 -18.52 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 129.394 3.078 . . . . 0.0 112.694 -167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.8 t -58.18 -32.39 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.761 -1.212 . . . . 0.0 110.727 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -103.33 160.84 14.34 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 166.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -131.86 163.69 27.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 139.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -120.79 168.52 11.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -73.78 -15.66 61.18 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -100.07 -103.88 0.23 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 167.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.0 121.64 12.54 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 172.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.816 0 C-N-CA 130.86 3.664 . . . . 0.0 114.665 170.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.724 ' HD2' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.724 HG13 ' HD2' ' A' ' 1' ' ' ARG . 4.9 m -75.82 114.36 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 C-N-CA 125.665 1.586 . . . . 0.0 110.653 -169.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 t -168.65 102.59 0.41 Allowed 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 103.579 -2.749 . . . . 0.0 103.579 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -100.1 -160.17 0.78 Allowed 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.95 1.3 . . . . 0.0 107.776 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -81.38 -13.13 58.65 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -162.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.55 -94.37 1.29 Allowed Glycine 0 CA--C 1.528 0.88 0 CA-C-N 120.107 1.321 . . . . 0.0 112.306 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 48.94 84.17 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.335 1.854 . . . . 0.0 114.584 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m 71.84 120.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 126.49 1.916 . . . . 0.0 112.049 166.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.258 0.3 OUTLIER 66.75 -23.81 0.11 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.34 1.856 . . . . 0.0 113.101 -172.084 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 58.9 39.06 24.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 109.629 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . 0.256 . . 40.59 -146.34 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 129.471 3.108 . . . . 0.0 113.411 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.4 mt-10 -138.03 3.71 2.45 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.072 1.349 . . . . 0.0 111.409 -172.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 12' ' ' GLU . 11.8 m-85 -140.44 130.11 24.28 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -157.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 38.86 59.63 1.56 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.839 2.456 . . . . 0.0 111.852 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -171.88 -59.87 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.54 1.936 . . . . 0.0 109.003 -173.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 -172.27 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.972 1.781 . . . . 0.0 111.745 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -70.66 15.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.337 1.455 . . . . 0.0 114.874 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.62 -62.54 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.718 -1.239 . . . . 0.0 110.668 -178.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.18 -19.6 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 O-C-N 120.533 -1.354 . . . . 0.0 109.122 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -66.17 -51.36 58.58 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 125.162 1.385 . . . . 0.0 109.532 170.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -52.34 -42.89 64.25 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.215 174.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.47 ' CE3' HD11 ' A' ' 42' ' ' LEU . 52.2 m0 -69.17 -34.78 75.5 Favored 'General case' 0 N--CA 1.461 0.089 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.47 -53.67 51.22 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.632 1.206 . . . . 0.0 108.138 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -23.55 33.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.549 -172.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.82 -40.88 63.7 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.574 1.149 . . . . 0.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.05 -33.55 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.607 2.363 . . . . 0.0 112.755 173.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 p -141.23 35.53 1.7 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 127.452 2.301 . . . . 0.0 109.087 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 -92.97 0.26 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -158.89 84.08 0.81 Allowed 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.836 -0.54 . . . . 0.0 110.14 -169.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.1 mt -141.95 -157.4 0.77 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 128.364 2.666 . . . . 0.0 109.146 -169.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.3 p -134.2 164.98 26.16 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.675 1.59 . . . . 0.0 109.567 169.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -44.76 96.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.758 1.223 . . . . 0.0 113.434 -170.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.56 -43.8 68.74 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.819 1.191 . . . . 0.0 110.648 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.05 -47.72 85.09 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.2 -61.08 2.45 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 125.542 1.537 . . . . 0.0 109.316 172.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -52.31 -39.48 60.62 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 120.167 1.349 . . . . 0.0 112.193 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.53 -54.45 42.99 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.151 0.581 . . . . 0.0 110.395 177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.07 -36.0 67.6 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 173.07 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -64.2 -51.78 62.09 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -169.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.563 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -68.53 -34.85 76.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.205 0.911 . . . . 0.0 112.097 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm? -72.45 -36.01 68.42 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 124.866 1.266 . . . . 0.0 110.948 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -59.44 -48.71 80.59 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.34 -47.24 69.51 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.487 -0.758 . . . . 0.0 110.083 172.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.09 -58.84 4.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 125.175 1.39 . . . . 0.0 109.793 -171.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -54.01 -42.88 69.56 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 124.97 1.308 . . . . 0.0 109.025 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.83 79.04 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.793 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -55.76 -48.96 74.39 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.561 -0.712 . . . . 0.0 111.898 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 HG21 ' A' ' 99' ' ' VAL . 5.4 tt -77.02 -33.42 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.649 -171.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.7 -41.65 74.1 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.884 1.22 . . . . 0.0 109.98 167.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.74 -55.31 24.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.661 -1.274 . . . . 0.0 112.334 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.62 -51.72 6.78 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.559 1.072 . . . . 0.0 111.272 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.49 -40.44 91.34 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 125.461 1.504 . . . . 0.0 111.919 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -59.37 -42.11 90.85 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -68.98 -49.13 60.62 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 124.464 1.106 . . . . 0.0 111.985 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.8 -48.0 20.81 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.888 1.275 . . . . 0.0 108.332 174.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.76 -36.86 67.76 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 118.614 -1.234 . . . . 0.0 111.231 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -70.28 -16.38 63.01 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.21 -0.931 . . . . 0.0 112.26 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mt -69.83 -55.57 9.43 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-N 120.97 1.713 . . . . 0.0 108.5 167.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -61.03 1.73 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.805 1.242 . . . . 0.0 110.541 175.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.0 mt -60.38 -51.03 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.619 1.168 . . . . 0.0 110.288 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.96 -21.51 64.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.654 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -75.51 -36.77 60.49 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 119.565 1.075 . . . . 0.0 108.25 176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.61 -47.44 83.77 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.224 0.92 . . . . 0.0 110.881 169.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.78 75.77 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.328 -0.857 . . . . 0.0 110.944 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.12 -60.44 3.76 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.583 1.153 . . . . 0.0 107.924 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -41.83 26.76 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.198 0.999 . . . . 0.0 111.369 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -77.04 -37.2 55.23 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -172.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.3 92.52 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.434 1.094 . . . . 0.0 112.119 171.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -56.84 -38.09 72.17 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.587 1.155 . . . . 0.0 108.505 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -9.99 53.48 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 117.292 -1.337 . . . . 0.0 114.478 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.8 t -78.48 -43.73 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 120.02 1.282 . . . . 0.0 109.073 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.5 -10.41 73.51 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.231 -1.316 . . . . 0.0 113.619 -168.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.86 -17.9 64.64 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.913 1.857 . . . . 0.0 113.026 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 -24.26 1.21 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.689 1.137 . . . . 0.0 114.839 166.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.87 -65.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 123.736 1.731 . . . . 0.0 111.216 -164.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -8.85 57.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.121 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.3 -47.63 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 120.627 1.558 . . . . 0.0 107.728 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.8 m -50.92 -56.52 11.96 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.854 0.862 . . . . 0.0 111.139 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -65.09 -35.55 81.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 118.879 -0.581 . . . . 0.0 112.254 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -58.91 -58.32 9.17 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -61.74 -33.86 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -60.61 -62.43 1.87 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.633 1.573 . . . . 0.0 107.591 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -65.4 -33.63 76.41 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.328 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -58.33 -56.06 26.91 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.803 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.26 96.68 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.258 0.935 . . . . 0.0 111.194 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tp -57.34 -46.04 83.71 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.797 1.639 . . . . 0.0 111.696 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -45.2 89.32 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 124.221 1.009 . . . . 0.0 110.96 175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.81 81.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 125.417 1.487 . . . . 0.0 108.759 176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.74 -56.89 9.13 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 125.702 1.62 . . . . 0.0 110.902 173.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -57.42 -54.39 47.36 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 116.74 -1.6 . . . . 0.0 111.235 175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 p -64.47 -42.06 96.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 121.853 2.115 . . . . 0.0 111.977 -171.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -53.75 -53.24 54.97 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.997 0.919 . . . . 0.0 109.424 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -63.7 -43.47 96.49 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.426 0.291 . . . . 0.0 110.986 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -34.95 72.82 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.235 -1.541 . . . . 0.0 110.225 -176.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.49 99.78 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 124.479 1.038 . . . . 0.0 111.245 171.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -59.21 -48.57 81.13 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.768 0.784 . . . . 0.0 110.506 170.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.7 m -55.72 -56.92 14.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.608 1.563 . . . . 0.0 108.742 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.457 HG21 HD12 ' A' ' 49' ' ' ILE . 4.5 t -49.31 -52.76 10.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 C-N-CA 127.032 2.133 . . . . 0.0 109.777 173.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -56.89 -53.89 52.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 120.443 1.474 . . . . 0.0 111.507 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -61.11 -55.49 31.84 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 118.425 0.557 . . . . 0.0 110.161 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.474 ' CD2' HD21 ' A' ' 106' ' ' LEU . 16.5 t-160 -53.91 -46.6 71.51 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.692 0.797 . . . . 0.0 109.886 -177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 21.9 tp -57.3 -55.89 28.93 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.981 1.312 . . . . 0.0 111.833 174.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -49.25 -35.22 17.05 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.436 0.694 . . . . 0.0 109.41 178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -59.33 2.77 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.235 -177.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 102' ' ' HIS . 0.5 OUTLIER -61.97 -47.74 83.48 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.189 0.904 . . . . 0.0 109.381 -175.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -51.87 -46.99 64.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -51.31 -54.11 25.1 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-N 119.352 0.978 . . . . 0.0 113.651 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -64.0 -53.15 54.59 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 118.832 1.316 . . . . 0.0 109.514 -174.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.6 mt -61.13 -30.12 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 119.497 1.044 . . . . 0.0 110.538 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.4 m -61.1 -20.16 62.31 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.997 -1.064 . . . . 0.0 112.425 176.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 114' ' ' ARG . 9.3 tpm_? -94.7 -50.08 5.33 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.797 0.839 . . . . 0.0 110.046 166.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 47.83 22.0 0.33 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 128.207 2.603 . . . . 0.0 114.555 -170.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.536 ' H ' ' HG3' ' A' ' 112' ' ' ARG . 11.9 mmt85 24.33 -89.6 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 130.678 3.591 . . . . 0.0 112.532 170.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.3 m170 171.26 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.276 2.63 . . . . 0.0 106.976 152.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.61 70.42 6.09 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.391 1.076 . . . . 0.0 108.949 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 118' ' ' LEU 0.312 0.0 OUTLIER 58.37 164.34 0.04 OUTLIER 'General case' 0 C--O 1.242 0.659 0 C-N-CA 126.1 1.76 . . . . 0.0 112.975 -172.202 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.483 ' H ' ' HG2' ' A' ' 117' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 -170.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.83 170.61 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.272 0.942 . . . . 0.0 109.293 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -126.63 116.63 21.31 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -69.24 112.45 5.83 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.453 0.57 . . . . 0.0 110.525 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.64 162.95 21.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.125 1.37 . . . . 0.0 108.268 168.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.51 82.25 0.71 Allowed Glycine 0 C--N 1.338 0.656 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -170.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -31.14 26.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.981 1.712 . . . . 0.0 114.67 -167.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.3 m 59.21 -164.83 0.2 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.667 1.222 . . . . 0.0 113.807 169.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 t -73.28 15.48 0.23 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.519 1.928 . . . . 0.0 112.577 170.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 54.61 79.91 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 126.8 2.04 . . . . 0.0 107.566 -151.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.74 163.96 26.75 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 122.19 -0.319 . . . . 0.0 110.734 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -130.26 -0.37 4.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.137 -0.977 . . . . 0.0 113.071 -150.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -140.33 32.27 1.9 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.853 1.261 . . . . 0.0 110.366 -157.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -80.46 -59.43 2.7 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -159.15 72.08 3.49 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 124.995 1.318 . . . . 0.0 109.69 169.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HG2' HG22 ' A' ' 18' ' ' VAL . 41.8 Cg_endo -69.63 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.324 2.683 . . . . 0.0 110.497 176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -134.98 -8.54 2.34 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.974 -1.079 . . . . 0.0 112.351 166.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 16' ' ' PRO . 28.2 m -63.39 -45.46 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 121.824 -0.547 . . . . 0.0 109.877 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.85 -37.8 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.955 1.302 . . . . 0.0 108.355 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.97 -45.45 93.6 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.013 1.325 . . . . 0.0 109.864 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.79 -48.63 75.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.952 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.56 ' CH2' HD12 ' A' ' 103' ' ' LEU . 49.8 m0 -71.37 -20.82 62.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.46 -57.79 11.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 -21.19 50.45 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.462 -175.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.26 -26.39 39.61 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.75 -0.643 . . . . 0.0 111.857 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -46.88 -28.45 1.59 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.74 1.216 . . . . 0.0 112.694 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 m -146.98 81.39 1.55 Allowed 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 161.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.91 67.33 1.26 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t30 61.92 24.9 14.89 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.772 1.629 . . . . 0.0 112.771 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -88.75 129.65 35.51 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 126.949 2.099 . . . . 0.0 109.311 -177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -74.12 157.03 36.74 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.212 0.605 . . . . 0.0 109.549 174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.67 -39.38 73.66 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.677 1.191 . . . . 0.0 112.996 -168.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -73.61 -50.9 18.81 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.842 0.857 . . . . 0.0 110.798 -176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 117' ' ' GLU . 4.8 tp10 -47.51 -49.88 24.91 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.34 1.056 . . . . 0.0 108.564 168.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.13 -53.86 53.52 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -59.23 -35.15 73.15 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 120.155 1.343 . . . . 0.0 112.659 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.71 -53.17 51.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.019 0.928 . . . . 0.0 110.674 173.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -37.55 73.2 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 176.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -47.78 78.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -174.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -67.54 -41.54 84.15 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 124.227 0.954 . . . . 0.0 112.485 -178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -65.47 -38.63 90.36 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 119.708 1.14 . . . . 0.0 109.578 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.59 -34.75 74.66 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.808 174.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -65.25 -44.64 87.52 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 119.801 1.182 . . . . 0.0 109.705 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -58.63 -43.86 89.83 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.692 -0.63 . . . . 0.0 110.806 172.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -66.05 -56.45 11.48 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 123.956 0.902 . . . . 0.0 111.528 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.1 -42.03 80.01 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.199 0.999 . . . . 0.0 108.373 -178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.2 -47.55 83.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.545 0.611 . . . . 0.0 110.689 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -55.05 -51.42 66.38 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.304 -0.872 . . . . 0.0 110.402 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 tp -70.34 -27.09 30.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-N 119.296 0.953 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -44.5 96.94 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.28 1.4 . . . . 0.0 108.38 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -23.56 24.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 117.553 -1.213 . . . . 0.0 111.308 -172.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -50.73 -67.16 0.28 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 119.995 1.271 . . . . 0.0 110.136 155.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -45.99 -48.47 16.59 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.652 1.581 . . . . 0.0 111.892 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -57.5 -51.34 69.85 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.018 -1.052 . . . . 0.0 111.797 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.18 -40.69 98.23 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.575 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -62.2 -41.68 98.59 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 125.785 1.634 . . . . 0.0 110.406 -178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -64.97 -51.65 60.6 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -62.95 -25.04 68.16 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 118.107 -0.949 . . . . 0.0 112.184 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.9 tp -68.86 -54.34 16.22 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.827 1.651 . . . . 0.0 108.022 174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -56.12 -44.9 79.56 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 120.202 1.365 . . . . 0.0 110.97 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.4 mt -61.96 -59.5 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.589 1.156 . . . . 0.0 109.37 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -32.73 73.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.066 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -60.0 -52.98 63.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.418 1.887 . . . . 0.0 108.065 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -64.36 -47.75 78.1 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.263 0.483 . . . . 0.0 111.205 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -52.36 47.69 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.353 0.661 . . . . 0.0 109.853 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA 0.295 0.0 OUTLIER -79.42 -26.03 41.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.069 -1.443 . . . . 0.0 112.02 -176.112 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -54.51 -38.64 66.75 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 121.355 1.889 . . . . 0.0 109.64 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -84.29 -29.43 26.41 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.009 0.524 . . . . 0.0 111.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.67 ' HA ' HG13 ' A' ' 72' ' ' VAL . . . -79.87 -20.13 46.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.857 1.263 . . . . 0.0 112.948 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -64.84 -0.83 1.64 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.6 1.56 . . . . 0.0 110.221 163.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.52 5.21 10.63 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.036 1.734 . . . . 0.0 112.617 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 69' ' ' ALA . 6.5 m -100.88 -24.81 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 120.697 1.589 . . . . 0.0 111.849 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.32 -0.4 68.48 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.52 -1.155 . . . . 0.0 114.32 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.651 ' H ' HG23 ' A' ' 72' ' ' VAL . 48.2 m-20 -67.45 86.5 0.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 170.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.72 -35.34 66.66 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 120.162 -1.586 . . . . 0.0 112.58 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -66.77 -32.4 73.67 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.669 -0.901 . . . . 0.0 110.977 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.37 -38.56 90.41 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 115.901 -1.999 . . . . 0.0 109.533 173.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.87 -52.88 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 120.98 1.718 . . . . 0.0 107.712 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 m -53.89 -61.78 2.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.718 0.807 . . . . 0.0 112.245 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -60.93 -42.99 99.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.222 1.374 . . . . 0.0 111.27 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.1 m -60.65 -44.95 95.82 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.892 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -65.58 -37.1 85.69 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 120.338 1.426 . . . . 0.0 111.419 177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.54 -53.65 55.79 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -75.24 -23.75 57.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.689 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -64.31 -56.54 13.76 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 119.202 0.91 . . . . 0.0 108.628 174.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.81 95.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.15 0.98 . . . . 0.0 111.724 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.46 -49.8 76.38 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.615 0.766 . . . . 0.0 110.001 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -49.52 69.8 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.499 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -44.58 94.2 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 122.732 1.253 . . . . 0.0 111.232 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.76 -39.5 87.25 Favored Glycine 0 N--CA 1.447 -0.618 0 O-C-N 121.104 -0.998 . . . . 0.0 111.037 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -35.67 63.98 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.701 175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 p -67.18 -40.23 86.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 121.76 2.073 . . . . 0.0 110.5 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -58.85 -60.1 4.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.468 0.576 . . . . 0.0 112.186 167.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.46 -39.43 76.32 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.923 0.783 . . . . 0.0 110.757 -175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.62 -41.91 68.3 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.916 -173.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.35 -40.89 78.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-N 119.0 0.818 . . . . 0.0 111.45 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -62.53 -47.86 82.06 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 121.81 -0.818 . . . . 0.0 110.833 174.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 m -64.44 -42.45 95.99 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.391 0.676 . . . . 0.0 109.989 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.94 -53.81 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 125.452 1.501 . . . . 0.0 108.359 172.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -59.42 -39.34 83.19 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 120.372 1.442 . . . . 0.0 111.616 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -59.53 -61.22 2.79 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.594 0.758 . . . . 0.0 109.495 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -56.46 -41.93 77.34 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 118.404 -0.807 . . . . 0.0 110.03 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD12 ' CH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -43.34 -65.92 0.44 Allowed 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 126.101 1.76 . . . . 0.0 110.329 171.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.15 -25.49 67.77 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.31 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -57.72 4.5 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 119.765 1.166 . . . . 0.0 109.806 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.49 -36.27 76.34 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.057 0.943 . . . . 0.0 109.225 -174.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.3 t -53.46 -47.33 69.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.954 0.901 . . . . 0.0 108.788 169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.28 -48.64 82.31 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.784 -1.009 . . . . 0.0 112.767 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -52.6 -65.42 0.56 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 122.224 1.012 . . . . 0.0 108.609 176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.6 -26.69 33.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 125.027 1.331 . . . . 0.0 110.67 -164.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -54.88 -27.24 41.18 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.679 173.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -91.36 -59.53 2.12 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.836 -1.078 . . . . 0.0 109.984 164.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 43.68 73.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.577 1.951 . . . . 0.0 112.04 -166.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -73.65 151.87 40.67 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.268 -0.895 . . . . 0.0 109.391 170.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -64.78 90.84 0.08 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.019 0.927 . . . . 0.0 108.915 160.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -166.3 -59.71 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.82 0.848 . . . . 0.0 109.663 160.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 34' ' ' GLU . 4.3 tt0 153.11 -8.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.294 1 C-N-CA 133.43 4.692 . . . . 0.0 107.034 -165.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.337 0.4 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 128.462 2.705 . . . . 0.0 113.504 175.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.3 t 71.23 136.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 125.669 1.588 . . . . 0.0 110.82 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 25.31 64.03 0.06 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 130.168 3.387 . . . . 0.0 116.297 164.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.73 168.13 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.241 -0.912 . . . . 0.0 110.589 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? 63.73 39.32 8.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.761 1.224 . . . . 0.0 110.984 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.91 -60.37 4.78 Favored Glycine 0 C--N 1.339 0.728 0 C-N-CA 124.04 0.829 . . . . 0.0 112.187 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.17 172.13 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 C-N-CA 127.221 2.208 . . . . 0.0 111.276 -163.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 m -59.44 151.37 24.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 166.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.289 0.5 OUTLIER 75.94 -37.77 0.32 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.055 2.542 . . . . 0.0 113.683 -179.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 51.2 86.85 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.998 1.719 . . . . 0.0 107.168 -157.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.66 99.56 2.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.357 1.063 . . . . 0.0 108.409 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.47 -4.14 24.92 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.929 -1.107 . . . . 0.0 113.619 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -87.83 -21.3 25.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.313 -0.867 . . . . 0.0 111.892 -169.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HB3' HD11 ' A' ' 49' ' ' ILE 0.255 8.7 pt-20 -145.06 21.3 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -169.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' H ' ' HD2' ' A' ' 16' ' ' PRO . 2.1 tm-20 -136.67 -48.7 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.097 175.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.621 ' HD2' ' H ' ' A' ' 15' ' ' GLU . 82.4 Cg_endo -72.81 -167.95 0.38 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 CA-C-N 121.644 1.623 . . . . 0.0 112.793 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.33 22.22 0.17 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.754 1.621 . . . . 0.0 112.348 -168.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.4 t -91.28 -59.68 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 129.085 2.954 . . . . 0.0 108.011 -171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mm -57.39 -32.13 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 167.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' HD12 ' A' ' 24' ' ' LEU . 15.0 t70 -64.76 -46.2 83.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.173 0.989 . . . . 0.0 109.829 175.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -50.92 32.7 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.67 1.188 . . . . 0.0 110.654 171.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -64.98 -31.06 72.11 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.95 -0.547 . . . . 0.0 111.512 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.61 -56.66 19.04 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.052 0.842 . . . . 0.0 110.121 174.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 20' ' ' ASP . 0.3 OUTLIER -71.76 -20.06 61.93 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.08 -177.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.57 -26.02 19.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.615 175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -52.39 -16.5 0.88 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.638 1.175 . . . . 0.0 114.124 174.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.9 m -155.82 27.72 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.366 1.866 . . . . 0.0 110.713 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.44 49.6 1.17 Allowed 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.453 -1.404 . . . . 0.0 111.803 -174.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.7 t30 53.56 32.77 14.9 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.584 1.954 . . . . 0.0 112.634 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.7 169.02 12.02 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.567 1.947 . . . . 0.0 110.0 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.4 p -86.56 154.23 21.23 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.41 0.684 . . . . 0.0 109.862 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -71.09 -22.23 62.13 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.585 -0.697 . . . . 0.0 112.466 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -58.7 3.13 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.21 -35.06 71.1 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.179 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 35' ' ' LEU . 3.1 tm? -56.48 -58.7 6.89 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.155 0.982 . . . . 0.0 109.759 173.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.92 -35.07 74.11 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.685 1.584 . . . . 0.0 110.672 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.43 63.5 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.022 -0.513 . . . . 0.0 111.454 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.89 66.14 Favored 'General case' 0 C--O 1.219 -0.541 0 C-N-CA 125.203 1.401 . . . . 0.0 108.522 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -43.88 85.62 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 119.123 0.874 . . . . 0.0 108.948 -170.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.56 -51.33 60.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 119.507 -0.877 . . . . 0.0 110.911 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -61.71 -33.06 73.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.349 0.977 . . . . 0.0 112.031 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.12 -45.88 72.44 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 125.148 1.379 . . . . 0.0 110.515 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -43.7 84.48 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 120.659 1.572 . . . . 0.0 110.466 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.3 -44.29 92.08 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.457 -0.777 . . . . 0.0 109.616 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.77 -56.2 19.66 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.528 1.931 . . . . 0.0 112.44 176.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 49' ' ' ILE . 2.3 pp20? -56.3 -42.31 77.34 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.156 1.782 . . . . 0.0 109.794 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.8 67.54 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.939 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -54.24 -43.37 70.82 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-O 118.583 -0.723 . . . . 0.0 112.099 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 99' ' ' VAL . 15.3 tt -81.39 -26.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 118.484 -0.769 . . . . 0.0 111.579 -172.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.9 78.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.082 1.31 . . . . 0.0 109.42 165.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -73.65 -37.68 65.24 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.353 -1.467 . . . . 0.0 111.913 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -53.43 -58.63 6.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 120.158 1.345 . . . . 0.0 110.867 166.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -46.77 -43.55 18.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.591 1.556 . . . . 0.0 111.202 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.8 -46.92 87.44 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.253 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.06 -51.83 59.23 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-O 117.263 -1.351 . . . . 0.0 112.266 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.74 76.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.191 1.36 . . . . 0.0 110.174 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -62.26 -51.78 66.35 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.89 -1.131 . . . . 0.0 110.103 175.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -58.86 -33.73 70.8 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 118.013 -0.994 . . . . 0.0 111.1 175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.85 -50.31 67.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 125.194 1.398 . . . . 0.0 109.844 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -60.23 -46.8 88.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.453 1.024 . . . . 0.0 110.295 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.29 -42.99 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.23 70.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.052 -0.975 . . . . 0.0 112.125 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -69.33 -46.26 67.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.059 1.343 . . . . 0.0 107.408 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -56.88 -53.24 60.21 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 118.875 0.761 . . . . 0.0 110.489 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -57.53 -38.79 75.29 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 81' ' ' SER . 23.7 tp -69.29 -53.25 20.67 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 124.799 1.24 . . . . 0.0 109.303 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -57.19 -33.03 67.07 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 120.936 1.698 . . . . 0.0 110.616 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -65.9 -54.12 30.64 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.451 0.569 . . . . 0.0 110.816 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -25.85 68.46 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.734 1.214 . . . . 0.0 113.933 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -14.3 62.86 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 125.049 1.339 . . . . 0.0 110.136 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -106.43 12.47 29.66 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.388 1.475 . . . . 0.0 113.304 174.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.7 p -92.13 -36.13 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.514 1.507 . . . . 0.0 109.87 154.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 12.48 63.84 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-N 119.001 0.819 . . . . 0.0 113.304 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -55.03 -24.43 24.55 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.89 2.076 . . . . 0.0 114.865 -171.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.05 -67.7 2.96 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-O 119.114 -0.825 . . . . 0.0 111.24 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -57.58 11.77 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.21 1.005 . . . . 0.0 110.483 -171.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -68.25 -30.2 69.19 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.32 -53.46 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 119.646 1.112 . . . . 0.0 108.361 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -52.69 -56.29 16.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.615 0.766 . . . . 0.0 110.607 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -60.25 -36.94 78.91 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.586 1.084 . . . . 0.0 111.734 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' HD13 ' A' ' 66' ' ' LEU . 47.6 m -57.23 -60.21 3.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.117 -0.945 . . . . 0.0 109.492 173.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -64.46 -26.5 68.47 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.745 1.157 . . . . 0.0 112.179 -173.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.29 -56.08 11.28 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.04 1.336 . . . . 0.0 109.497 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -30.52 69.83 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.372 0.669 . . . . 0.0 110.774 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -57.52 -58.64 7.43 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.539 1.535 . . . . 0.0 107.64 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.77 83.17 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.685 -0.674 . . . . 0.0 112.386 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -55.84 25.45 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.436 0.562 . . . . 0.0 109.623 171.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -48.83 78.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.789 0.836 . . . . 0.0 109.782 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.48 -36.77 81.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.38 -42.15 90.14 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -38.61 91.53 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.9 175.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.7 p -65.46 -40.76 93.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 120.417 1.462 . . . . 0.0 109.627 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.21 -52.47 64.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.042 -1.036 . . . . 0.0 111.062 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.36 -57.31 11.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 124.444 1.098 . . . . 0.0 111.536 -177.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.46 -45.06 92.55 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 117.59 -1.195 . . . . 0.0 108.435 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.33 -49.65 43.87 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 119.215 0.916 . . . . 0.0 112.288 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.88 -46.29 85.11 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.764 -0.844 . . . . 0.0 111.55 174.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.8 m -64.71 -44.05 91.47 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.376 1.07 . . . . 0.0 109.748 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.596 HG21 HD12 ' A' ' 49' ' ' ILE . 45.8 t -55.96 -62.97 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.899 0 CA-C-O 115.314 -2.279 . . . . 0.0 107.106 170.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -46.96 -44.8 20.35 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 122.187 2.267 . . . . 0.0 112.341 -173.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -54.94 -66.04 0.47 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.021 0.529 . . . . 0.0 110.105 174.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.9 -43.6 66.31 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.336 0.654 . . . . 0.0 110.924 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 tp -53.98 -44.24 70.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 129.114 2.965 . . . . 0.0 110.492 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.84 -30.65 45.36 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 111.529 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.39 -56.46 21.79 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.5 mt -49.49 -55.06 14.58 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 125.324 1.45 . . . . 0.0 109.311 171.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -65.79 -16.75 64.09 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.046 -1.659 . . . . 0.0 114.539 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.42 -9.34 44.45 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-N 119.981 1.264 . . . . 0.0 112.863 171.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.483 ' CB ' HD23 ' A' ' 118' ' ' LEU . 7.2 mtt85 -84.15 -65.53 1.0 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.589 1.555 . . . . 0.0 108.322 169.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -18.21 23.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 127.954 2.502 . . . . 0.0 110.687 -168.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -56.14 -18.67 10.62 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.047 -1.033 . . . . 0.0 112.506 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -131.9 -39.02 1.1 Allowed 'General case' 0 C--N 1.338 0.081 0 C-N-CA 125.56 1.544 . . . . 0.0 112.081 168.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 41.66 64.95 0.94 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 126.103 1.761 . . . . 0.0 112.921 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -73.69 161.96 29.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.305 0.574 . . . . 0.0 111.673 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.403 ' CG ' ' H ' ' A' ' 116' ' ' ASN . 1.5 t60 60.13 -156.38 0.34 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 147.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' H ' ' CG ' ' A' ' 115' ' ' HIS . 8.4 m120 -95.59 74.21 3.22 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -176.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 61.81 178.52 0.12 Allowed 'General case' 0 C--O 1.24 0.581 0 C-N-CA 127.243 2.217 . . . . 0.0 112.301 -170.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.242 2.217 . . . . 0.0 106.151 -168.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 t 65.86 175.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -162.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -54.49 7.81 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.709 -1.245 . . . . 0.0 109.769 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 55.42 50.29 15.09 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.211 2.204 . . . . 0.0 113.172 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.98 -64.82 0.31 Allowed 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 169.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.77 38.11 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -132.61 21.49 4.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.654 1.982 . . . . 0.0 112.673 -170.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 86.11 154.09 0.08 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 129.124 2.97 . . . . 0.0 110.347 169.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -38.04 89.6 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.547 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -159.35 97.09 1.33 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.718 -2.327 . . . . 0.0 104.718 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.58 171.88 19.21 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 119.216 0.916 . . . . 0.0 111.568 163.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -136.45 9.16 3.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.699 1.6 . . . . 0.0 111.74 174.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -136.87 68.93 1.41 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -165.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.54 -40.7 2.76 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.071 0.549 . . . . 0.0 110.819 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.47 61.53 1.79 Allowed Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 127.119 2.168 . . . . 0.0 108.553 164.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 18' ' ' VAL . 57.8 Cg_endo -76.1 -179.52 5.31 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 N-CA-C 108.576 -1.355 . . . . 0.0 108.576 173.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptt-85 -54.09 -14.99 1.23 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -172.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 103' ' ' LEU . 4.7 m -52.31 -55.31 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 124.848 1.259 . . . . 0.0 110.004 169.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG13 ' CE3' ' A' ' 22' ' ' TRP 0.261 0.8 OUTLIER -65.84 -32.39 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.62 1.168 . . . . 0.0 110.124 -177.581 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.65 -50.08 70.7 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.914 1.234 . . . . 0.0 110.475 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.47 -32.57 74.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.218 -174.561 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.685 ' CZ2' HD12 ' A' ' 106' ' ' LEU . 25.4 m0 -76.07 -27.55 57.28 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.097 0.959 . . . . 0.0 111.663 172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -60.28 3.62 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.099 -1.001 . . . . 0.0 109.439 172.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -83.13 1.71 39.05 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.18 -31.91 14.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.18 -0.95 . . . . 0.0 111.439 164.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -56.22 -12.18 1.47 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -137.58 24.08 2.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.414 1.485 . . . . 0.0 110.349 178.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.57 -145.51 0.16 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.12 1.368 . . . . 0.0 108.879 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -96.31 -0.96 48.85 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.099 1.36 . . . . 0.0 114.49 -162.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -68.6 178.15 2.18 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.641 3.577 . . . . 0.0 114.266 175.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 34' ' ' GLU . 31.5 p -128.07 163.55 24.34 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.477 2.311 . . . . 0.0 109.961 -171.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.47 -38.41 77.51 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.652 1.569 . . . . 0.0 114.357 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -75.83 -51.14 13.21 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' CG ' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -57.87 -37.5 74.04 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.219 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.52 -51.02 55.91 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 126.259 1.824 . . . . 0.0 108.959 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.51 -38.7 75.08 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 121.252 1.842 . . . . 0.0 111.247 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.28 -50.54 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.195 0.598 . . . . 0.0 111.172 174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -37.44 80.76 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 119.012 0.824 . . . . 0.0 109.931 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.92 -46.89 79.74 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 107.778 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -47.43 74.37 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.172 -177.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.22 -46.12 83.24 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.459 1.104 . . . . 0.0 109.709 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.604 HD11 ' CE3' ' A' ' 22' ' ' TRP . 2.5 mm? -64.2 -36.47 84.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 121.311 -0.868 . . . . 0.0 112.696 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -45.77 87.28 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.417 1.008 . . . . 0.0 108.919 175.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -58.82 -47.54 84.43 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 121.587 -0.696 . . . . 0.0 110.645 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 106' ' ' LEU . 3.6 m-85 -61.7 -52.05 65.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 C-N-CA 125.358 1.463 . . . . 0.0 110.757 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -41.05 99.17 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -171.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.49 80.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.673 -0.642 . . . . 0.0 111.304 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -53.7 55.22 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.757 -1.214 . . . . 0.0 112.094 170.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.5 tp -66.78 -34.72 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 119.074 0.852 . . . . 0.0 109.537 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.7 -43.99 85.55 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 124.707 1.203 . . . . 0.0 110.372 172.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -64.18 -46.04 85.73 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.031 -1.043 . . . . 0.0 111.088 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -49.24 -48.13 45.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 118.928 0.786 . . . . 0.0 110.642 171.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -62.28 -41.87 98.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.644 1.178 . . . . 0.0 109.278 -177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.49 -48.25 82.39 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.37 -54.26 35.63 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.509 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.65 -29.44 70.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.879 1.218 . . . . 0.0 110.942 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.5 -55.91 15.26 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.969 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -57.72 -30.6 65.67 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.071 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.43 -50.4 67.72 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.824 1.249 . . . . 0.0 110.368 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -50.12 74.28 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.67 -44.2 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.635 0.731 . . . . 0.0 109.521 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.01 87.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 117.422 -1.275 . . . . 0.0 111.117 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.429 ' HD1' ' CD2' ' A' ' 85' ' ' HIS . 47.7 t60 -66.31 -41.04 90.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 119.692 1.133 . . . . 0.0 109.691 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.76 -51.18 69.37 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.831 0.741 . . . . 0.0 109.964 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -43.23 72.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.208 0.603 . . . . 0.0 110.648 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 81' ' ' SER . 8.5 tp -60.82 -58.17 9.56 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.874 1.67 . . . . 0.0 109.889 177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -40.12 57.84 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 120.355 1.434 . . . . 0.0 111.269 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.61 -46.11 89.79 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.805 0.842 . . . . 0.0 110.004 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.43 64.19 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.74 -32.86 69.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.555 1.542 . . . . 0.0 109.163 172.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -21.17 66.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.952 1.301 . . . . 0.0 112.76 176.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.4 t -71.61 -38.51 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 119.237 0.926 . . . . 0.0 110.158 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.68 60.95 Favored Glycine 0 CA--C 1.531 1.065 0 CA-C-O 119.134 -0.815 . . . . 0.0 113.49 -169.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -14.62 28.61 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -164.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.99 -50.59 1.23 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.093 1.806 . . . . 0.0 113.727 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -44.1 -63.1 0.93 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.055 2.142 . . . . 0.0 112.493 -169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -24.69 63.33 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.006 -1.059 . . . . 0.0 111.849 -177.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.63 -48.44 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.43 1.092 . . . . 0.0 108.239 -170.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 m -44.02 -62.92 0.98 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.913 1.685 . . . . 0.0 111.281 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -71.57 -28.33 63.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.117 0.967 . . . . 0.0 111.596 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.471 ' HB2' HD13 ' A' ' 66' ' ' LEU . 66.5 m -67.05 -56.63 9.25 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.238 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -61.92 -26.53 68.23 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.625 1.557 . . . . 0.0 110.683 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -60.53 -65.44 0.69 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.625 1.17 . . . . 0.0 108.274 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -27.28 68.77 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.121 -175.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.429 ' CD2' ' HD1' ' A' ' 63' ' ' HIS . 41.8 t-80 -59.13 -63.52 1.27 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 108.985 174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.78 -36.74 67.7 Favored 'General case' 0 C--N 1.338 0.092 0 C-N-CA 124.036 0.935 . . . . 0.0 111.724 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.54 -61.2 2.46 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.444 0.698 . . . . 0.0 109.417 171.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.31 -44.84 95.07 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -58.86 -48.61 80.78 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.941 2.497 . . . . 0.0 110.753 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.26 -47.16 56.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.54 99.0 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 117.33 -1.319 . . . . 0.0 111.046 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.9 p -53.06 -51.81 60.58 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.786 1.63 . . . . 0.0 109.702 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.35 -44.32 88.73 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.172 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -64.49 -52.56 57.26 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 124.959 1.304 . . . . 0.0 111.953 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 52' ' ' HIS . 2.6 tm? -67.93 -39.27 83.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 117.12 -1.419 . . . . 0.0 108.612 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.96 -56.41 8.88 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.782 1.174 . . . . 0.0 111.521 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.34 -48.26 68.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.159 0.983 . . . . 0.0 111.004 174.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.5 m -62.74 -48.53 78.81 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.007 0.923 . . . . 0.0 110.409 -175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 t -59.51 -52.27 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 C-N-CA 125.789 1.635 . . . . 0.0 108.128 175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -53.56 -48.65 68.95 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 120.71 1.595 . . . . 0.0 110.332 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -42.03 99.2 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.377 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -58.8 -37.16 75.75 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 124.421 1.089 . . . . 0.0 111.604 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 18' ' ' VAL . 16.7 mt -66.88 -49.43 65.65 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 120.41 1.459 . . . . 0.0 108.845 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.28 -41.44 65.57 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.52 -60.94 1.97 Allowed 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 117.361 -1.304 . . . . 0.0 112.255 -178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.685 HD12 ' CZ2' ' A' ' 22' ' ' TRP . 49.0 mt -56.86 -43.86 81.61 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.213 1.405 . . . . 0.0 109.865 -176.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.25 -39.14 89.28 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 121.361 -0.837 . . . . 0.0 109.356 174.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.04 -45.76 80.43 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.337 1.426 . . . . 0.0 112.904 170.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -58.4 8.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.686 2.395 . . . . 0.0 109.569 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.33 -17.85 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.536 0.734 . . . . 0.0 110.707 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.5 m -59.11 -18.75 38.4 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 121.661 -0.65 . . . . 0.0 111.643 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -92.95 -71.0 0.67 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 125.628 1.571 . . . . 0.0 108.294 165.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 55.63 109.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.732 2.413 . . . . 0.0 111.045 -159.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.33 162.05 34.08 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.134 1.374 . . . . 0.0 111.665 -173.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.4 172.63 3.1 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.745 164.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 72.59 4.19 4.91 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.723 1.609 . . . . 0.0 113.762 172.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 65.11 178.94 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.304 1.842 . . . . 0.0 110.74 -173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.251 1.135 0 C-N-CA 124.757 1.223 . . . . 0.0 108.706 -153.198 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.711 ' CG ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.711 HG23 ' CG ' ' A' ' 1' ' ' ARG . 89.3 t -145.29 114.98 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.1 0 N-CA-C 105.107 -2.183 . . . . 0.0 105.107 -168.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 m 144.66 177.06 0.0 OUTLIER 'General case' 0 C--O 1.239 0.53 1 C-N-CA 132.19 4.196 . . . . 0.0 105.375 -163.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -142.52 157.94 44.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 171.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -60.15 117.16 4.8 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.71 -126.58 0.84 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.75 41.38 1.02 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.89 1.276 . . . . 0.0 110.378 169.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 p -47.14 118.96 2.34 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 126.371 1.869 . . . . 0.0 110.423 -170.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 t -56.03 -56.02 25.83 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -163.2 133.45 4.45 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 129.788 3.235 . . . . 0.0 104.206 164.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.09 85.33 1.28 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 167.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -100.24 3.33 43.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.527 1.531 . . . . 0.0 110.717 174.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.28 174.35 2.13 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.794 -1.191 . . . . 0.0 109.973 163.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 66.75 -10.35 0.3 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.269 1.828 . . . . 0.0 114.688 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.59 161.59 73.11 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 128.45 2.7 . . . . 0.0 113.629 -173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HD2' ' A' ' 1' ' ' ARG . 50.2 Cg_endo -73.29 17.49 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.804 1 C-N-CA 127.163 5.242 . . . . 0.0 113.837 -166.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.13 -52.35 2.41 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.926 1.69 . . . . 0.0 109.689 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.93 -77.45 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.813 1.645 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -59.11 -18.43 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.023 1.329 . . . . 0.0 110.471 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -72.72 -50.37 25.17 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.627 1.103 . . . . 0.0 111.1 172.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -41.58 73.77 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CH2' HD22 ' A' ' 103' ' ' LEU . 52.3 m0 -68.95 -26.46 65.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 174.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -57.1 -59.62 4.81 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 120.0 1.273 . . . . 0.0 109.263 171.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -21.08 57.81 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 119.55 -0.86 . . . . 0.0 109.32 -172.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.18 -11.89 1.33 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.323 169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -60.97 -15.96 37.46 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.917 1.69 . . . . 0.0 113.365 171.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -158.9 -2.45 0.08 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -32.2 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.343 0.308 0 C-N-CA 128.566 2.746 . . . . 0.0 113.147 -168.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -165.46 44.84 0.08 Allowed 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.328 0.651 . . . . 0.0 110.636 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.81 168.53 9.38 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.357 1.463 . . . . 0.0 109.645 -162.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -92.86 165.56 12.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.974 0.416 . . . . 0.0 110.714 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.26 -28.02 64.9 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.626 0.771 . . . . 0.0 112.853 -162.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -97.17 -41.94 8.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.496 0.719 . . . . 0.0 111.579 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -53.0 -43.74 66.7 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.339 1.056 . . . . 0.0 109.36 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.52 -63.45 1.16 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.01 1.324 . . . . 0.0 110.395 171.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -51.56 -39.76 58.44 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 120.041 1.291 . . . . 0.0 112.53 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -50.34 64.68 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.135 0.574 . . . . 0.0 111.463 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -57.93 -29.87 65.5 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.025 0.83 . . . . 0.0 110.315 174.638 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -51.17 26.93 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.12 -42.21 72.94 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 119.523 -0.871 . . . . 0.0 112.997 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.06 -40.74 77.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.925 0.784 . . . . 0.0 109.795 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 38' ' ' PHE . 30.7 mt -72.65 -36.98 68.1 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 116.913 -1.518 . . . . 0.0 112.776 176.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -39.74 87.09 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 121.49 1.95 . . . . 0.0 110.152 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -58.24 -53.65 55.89 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.11 -0.993 . . . . 0.0 110.565 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.66 -53.09 61.66 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.775 1.23 . . . . 0.0 111.093 -174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 49' ' ' ILE . 1.6 pp20? -62.22 -39.28 92.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.161 1.385 . . . . 0.0 108.83 -177.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.08 -45.54 90.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.39 -0.924 . . . . 0.0 111.551 171.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' HG3' HH22 ' A' ' 91' ' ' ARG . 0.1 OUTLIER -57.29 -51.89 67.53 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 124.676 1.19 . . . . 0.0 109.769 -179.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 ' HA ' ' A' ' 46' ' ' GLU . 15.3 tt -75.09 -32.79 27.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.109 -173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.69 -35.11 79.83 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-N 119.876 1.216 . . . . 0.0 110.587 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -64.81 -45.97 83.98 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.48 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.404 ' CG ' HD12 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -51.46 -52.43 46.5 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.137 1.335 . . . . 0.0 111.06 173.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -48.26 -48.42 35.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.903 1.681 . . . . 0.0 108.986 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.37 -45.13 81.15 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.701 -176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.21 -51.87 53.47 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 108.135 -173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -59.57 -39.53 84.38 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.061 1.344 . . . . 0.0 109.52 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -60.82 -50.71 72.35 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.773 -1.171 . . . . 0.0 111.138 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -71.87 -16.66 62.14 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.79 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.8 tp -67.35 -48.2 68.2 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.319 1.448 . . . . 0.0 108.183 169.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -63.5 -45.25 91.56 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 124.82 1.248 . . . . 0.0 111.058 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.98 -45.78 89.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.366 176.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.92 80.99 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.512 -1.233 . . . . 0.0 111.052 176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -56.57 19.97 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.605 1.562 . . . . 0.0 107.169 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.8 -40.27 94.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 117.179 -1.808 . . . . 0.0 112.012 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.34 -37.1 80.2 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 120.476 -1.39 . . . . 0.0 112.028 -176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -79.08 -27.36 43.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 116.833 -1.556 . . . . 0.0 111.108 175.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -54.07 -49.91 67.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 120.909 1.686 . . . . 0.0 109.185 168.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -71.07 -29.45 65.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.733 0.645 . . . . 0.0 110.791 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . . . -71.0 -36.38 72.45 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.998 -1.064 . . . . 0.0 113.217 173.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -64.33 -29.39 70.47 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.45 -1.406 . . . . 0.0 109.085 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -77.64 2.56 16.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.178 1.391 . . . . 0.0 113.302 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.24 -35.98 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 120.226 1.375 . . . . 0.0 110.479 161.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.04 0.59 56.07 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 119.081 0.855 . . . . 0.0 113.664 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.2 t0 -62.46 93.61 0.05 Allowed 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 125.177 1.391 . . . . 0.0 109.683 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.75 -20.94 66.81 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 118.821 -0.988 . . . . 0.0 113.278 -173.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.93 -52.03 53.38 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.067 1.433 . . . . 0.0 109.138 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -76.88 -34.22 57.78 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 118.526 -0.749 . . . . 0.0 112.662 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 74' ' ' ASP . 37.7 t -67.55 -56.77 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 119.799 1.181 . . . . 0.0 108.854 -169.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.09 -48.87 79.67 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -57.79 -39.98 78.78 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.284 1.034 . . . . 0.0 111.135 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.2 m -60.26 -56.34 22.68 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.929 171.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.05 -36.64 73.05 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.483 1.038 . . . . 0.0 111.699 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -65.99 -55.69 15.47 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.403 1.881 . . . . 0.0 109.037 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -34.02 75.5 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -63.77 -45.96 87.42 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.309 1.044 . . . . 0.0 110.193 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.23 93.02 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.71 0.686 . . . . 0.0 111.451 172.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -48.73 75.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.016 0.371 . . . . 0.0 110.349 175.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -49.41 76.9 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.803 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.94 -47.99 81.24 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.197 0.999 . . . . 0.0 110.747 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.62 87.76 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.518 HH22 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -62.12 -53.12 59.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.394 175.185 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 21.9 p -62.76 -39.03 92.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 120.128 1.331 . . . . 0.0 110.193 -171.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -61.11 -53.85 51.93 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.899 1.28 . . . . 0.0 111.492 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.39 -44.52 65.38 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 110.092 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 52' ' ' HIS . 2.2 tm? -68.73 -47.37 66.49 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-O 117.088 -1.434 . . . . 0.0 109.211 -175.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -46.78 55.75 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-N 120.062 1.301 . . . . 0.0 111.295 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -46.09 89.07 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.907 -0.761 . . . . 0.0 111.611 174.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.9 m -61.85 -47.18 86.19 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.928 0.891 . . . . 0.0 109.174 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.34 -55.68 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.386 176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -53.98 -43.69 70.18 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.615 1.552 . . . . 0.0 110.613 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.1 mttt -57.96 -57.21 13.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.141 0.428 . . . . 0.0 111.251 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.408 ' CD2' HD13 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -63.03 -35.04 78.9 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 118.764 -0.636 . . . . 0.0 111.427 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -46.45 -61.17 1.92 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 128.637 2.775 . . . . 0.0 109.819 165.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.79 -43.93 90.6 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.504 0.721 . . . . 0.0 110.572 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.86 -59.56 3.42 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 124.662 1.185 . . . . 0.0 111.492 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 HD13 ' CD2' ' A' ' 102' ' ' HIS . 4.2 mp -56.7 -40.34 75.45 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.08 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.87 -42.87 99.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.223 1.374 . . . . 0.0 109.065 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.26 -11.3 71.01 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.734 1.159 . . . . 0.0 114.203 176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -95.9 -75.62 0.52 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.0 mm -49.61 -24.99 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 130.218 3.407 . . . . 0.0 112.867 -172.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -10.59 1.4 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.407 -1.433 . . . . 0.0 112.858 168.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 168.11 19.26 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.785 2.434 . . . . 0.0 108.004 167.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.06 91.23 0.46 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.56 1.944 . . . . 0.0 106.45 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -99.88 -178.9 4.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.38 0.672 . . . . 0.0 110.203 -173.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -77.51 52.06 0.94 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.97 0.908 . . . . 0.0 109.817 168.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -173.94 160.63 3.57 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.678 2.791 . . . . 0.0 105.861 169.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 2.6 mp0 -67.47 173.03 4.36 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.956 0.502 . . . . 0.0 109.759 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 C--O 1.249 1.063 0 C-N-CA 123.848 0.859 . . . . 0.0 108.915 -163.787 . . . . . . . . 0 0 . 1 stop_ save_